Compound Info
NAs Base Info
ID Cluster Name Target MolWt
Compound Structure
NAs.003654 2 TUBERCIDIN
Target name Tax id
Adenosine A2a receptor
Adenosine deaminase
Programmed cell death protein 4
Heat shock factor protein 1
Mothers against decapentaplegic homolog 3
Geminin
Parathyroid hormone receptor
Ataxin-2
Nuclear factor erythroid 2-related factor 2
Guanine nucleotide-binding protein G(s)
subunit alpha
Heat shock cognate 71 kDa protein
Nuclear receptor ROR-gamma
Tyrosyl-DNA phosphodiesterase 1
Isocitrate dehydrogenase [NADP] cytoplasmic
Adenosine A1 receptor
NS5
Chromobox protein homolog 1
Cholinesterase
Histone-lysine N-methyltransferase
H3 lysine-79 specific
Adenosine kinase
Acetylcholinesterase
DNA polymerase iota
Adenosine A3 receptor
Glucagon-like peptide 1 receptor
266.257
Chemical Representations
InChI InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1
InChI Key HDZZVAMISRMYHH-KCGFPETGSA-N
SMILES Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Molecular Formula C11H14N4O4
Functional Fragments
Base Ribose Phosphate
Base Structure
Match
No Image Available
Match
Calculated Properties
logP -1.375 Computed by RDKit
Heavy Atom Count 19 Computed by RDKit
Ring Count 3 Computed by RDKit
Hydrogen Bond Acceptor Count 8 Computed by RDKit
Hydrogen Bond Donor Count 4 Computed by RDKit
Rotatable Bond Count 2 Computed by RDKit
Topological Polar Surface Area 126.650 Computed by RDKit
Activity Data
Target Activity type Relation Value Unit Assay Source
HeLa MCC = 0.4 ug.mL-1 Concentration required to cause a microscopically detectable alteration in cell morphology in HeLa cell cultures. CHEMBL1122581
Vesicular stomatitis virus MIC = 0.006999999999999999 ug.mL-1 Concentration required to reduce vesicular stomatitis virus induced cytopathogenicity by 50% in HeLa cell cultures. CHEMBL1122581
Human coxsackievirus B4 MIC = 0.2 ug.mL-1 Concentration required to reduce coxsackie virus 4 induced cytopathogenicity by 50% in HeLa cell cultures. CHEMBL1122581
Human poliovirus 1 MIC = 0.006999999999999999 ug.mL-1 Concentration required to reduce polio virus type 1 induced cytopathogenicity by 50% in HeLa cell cultures. CHEMBL1122581
Vero MCC = 0.4 ug.mL-1 Concentration required to cause a microscopically detectable alteration in cell morphology in vero cell cultures. CHEMBL1122581
Mammalian orthoreovirus 1 MIC = 0.07 ug.mL-1 Concentration required to reduce reovirus type 1 induced cytopathogenicity by 50% in vero cell cultures. CHEMBL1122581
Human parainfluenza virus 3 MIC = 0.07 ug.mL-1 Concentration required to reduce parainfluenza virus type 3 induced cytopathogenicity by 50% in vero cell cultures. CHEMBL1122581
Sindbis virus MIC = 0.2 ug.mL-1 Concentration required to reduce sindbis virus induced cytopathogenicity by 50% in vero cell cultures. CHEMBL1122581
Human coxsackievirus B4 MIC = 0.2 ug.mL-1 Concentration required to reduce coxsackie virus B4 induced cytopathogenicity by 50% in vero cell cultures. CHEMBL1122581
Oryctolagus cuniculus MCC = 0.4 ug.mL-1 Concentration required to cause a microscopically detectable alteration in cell morphology in primary rabbit kidney cell cultures. CHEMBL1122581
Human herpesvirus 1 MIC = 0.07 ug.mL-1 Concentration required to reduce HSV-1 (KOS) induced cytopathogenicity by 50% in primary rabbit kidney cell cultures. CHEMBL1122581
Human herpesvirus 2 MIC = 0.2 ug.mL-1 Concentration required to reduce HSV-2 (G) induced cytopathogenicity by 50% in primary rabbit kidney cell cultures. CHEMBL1122581
Vaccinia virus MIC = 0.02 ug.mL-1 Concentration required to reduce vaccinia virus induced cytopathogenicity by 50% in primary rabbit kidney cell cultures. CHEMBL1122581
Vesicular stomatitis virus MIC = 0.006999999999999999 ug.mL-1 Concentration required to reduce vesicular stomatitis virus induced cytopathogenicity by 50% in primary rabbit kidney cell cultures. CHEMBL1122581
L1210 ID50 = 0.04 ug ml-1 Dose required to inhibit proliferation of L-1210 Cells by 50% CHEMBL1122581
Oryctolagus cuniculus MTC = 0.4 ug ml-1 Minimum cytotoxic concentration required to cause a microscopically detectable alteration of normal cell morphology in primary rabbit kidney cells CHEMBL1123899
Human herpesvirus 1 MIC50 = 0.1 ug.mL-1 Minimum inhibitory concentration required to reduce Herpes simplex virus type 1 (HSV-1, strain KOS) induced cytopathogenicity by 50% CHEMBL1123899
Human herpesvirus 2 MIC50 = 0.1 ug.mL-1 Minimum inhibitory concentration required to reduce Herpes simplex virus type 2 (HSV-2 strain G) induced cytopathogenicity by 50% CHEMBL1123899
Vaccinia virus MIC50 = 0.006999999999999999 ug.mL-1 Minimum inhibitory concentration required to reduce vaccinia virus(VV) induced cytopathogenicity by 50% CHEMBL1123899
Vesicular stomatitis virus MIC50 = 0.02 ug.mL-1 Minimum inhibitory concentration required to reduce vesicular stomatitis virus (VSV) induced cytopathogenicity by 50% CHEMBL1123899
HeLa MTC = 0.4 ug ml-1 Minimum cytotoxic concentration required to cause a microscopically detectable alteration of normal cell morphology in Hela cells CHEMBL1123899
Vesicular stomatitis virus MIC50 = 0.01 ug.mL-1 Minimum inhibitory concentration required to reduce Vesicular stomatitis virus (VSV) induced cytopathogenicity by 50% CHEMBL1123899
Human coxsackievirus B4 MIC50 = 0.07 ug.mL-1 Minimum inhibitory concentration required to reduce Coxsackie virus type B-4-induced cytopathogenicity by 50% CHEMBL1123899
Human poliovirus 1 MIC50 = 0.02 ug.mL-1 Minimum inhibitory concentration required to reduce Polio virus type 1 induced cytopathogenicity by 50% CHEMBL1123899
Vero MTC = 0.4 ug ml-1 Minimum cytotoxic concentration required to cause a microscopically detectable alteration of normal cell morphology in Vero cells CHEMBL1123899
Mammalian orthoreovirus 1 MIC50 = 0.04 ug.mL-1 Minimum inhibitory concentration required to reduce reo virus type 1 induced cytopathogenicity by 50% CHEMBL1123899
Human parainfluenza virus 3 MIC50 = 0.07 ug.mL-1 Minimum inhibitory concentration required to reduce parainfluenza type 3 induced cytopathogenicity by 50% CHEMBL1123899
Sindbis virus MIC50 = 0.2 ug.mL-1 Minimum inhibitory concentration required to reduce sindbis virus induced cytopathogenicity by 50% CHEMBL1123899
Human coxsackievirus B4 MIC50 = 0.07 ug.mL-1 Minimum inhibitory concentration required to reduce Coxsackie virus type B-4-induced cytopathogenicity by 50% CHEMBL1123899
Measles virus MIC50 = 0.3 ug.mL-1 Minimum inhibitory concentration required to reduce measles virus induced cytopathogenicity by 50% CHEMBL1123899
L1210 MIC50 = 0.04 ug.mL-1 Inhibition of murine leukemia L1210 cell growth CHEMBL1123899
L1210 MIC50 = 5.4 ug.mL-1 Minimum inhibitory concentration required to reduce incorporation of [methyl-3H]dThd into TCA-insoluble material from murine leukemia L1210 cells CHEMBL1123899
L1210 MIC50 = 0.29 ug.mL-1 Minimum inhibitory concentration required to reduce incorporation of [5-3H]-Urd into TCA-insoluble material from murine leukemia L1210 cells CHEMBL1123899
L1210 MIC50 = 0.173 ug.mL-1 Minimum inhibitory concentration required to reduce incorporation of [4,5-3H]leucine into TCA-insoluble material from murine leukemia L1210 cells CHEMBL1123899
HEp-2 IC50 = 2.0 nM Compound was evaluated for cytotoxicity against H.Ep.-2 cells, and concentration required to inhibit the growth of treated cells to 50% of untreated control. CHEMBL1122762
HEp-2 IC50 > 3000.0 nM Compound was evaluated for cytotoxicity against H.Ep.-2 (AK-) cells and concentration required to inhibit the growth of treated cells to 50% of untreated control CHEMBL1122762
Oryctolagus cuniculus MCC = 0.4 ug.mL-1 Evaluation for antiviral activity in primary rabbit kidney cell culture CHEMBL1123547
Human herpesvirus 1 MIC >= 0.4 ug.mL-1 Evaluation for antiviral activity against herpes simplex virus type 1 (strain KOS) in primary rabbit kidney cell culture CHEMBL1123547
Human herpesvirus 2 MIC >= 0.4 ug.mL-1 Evaluation for antiviral activity against herpes simplex virus type 2 (strain G) in primary rabbit kidney cell culture CHEMBL1123547
Vaccinia virus MIC = 0.07 ug.mL-1 Evaluation for antiviral activity against vaccinia virus in primary rabbit kidney cell culture CHEMBL1123547
Vesicular stomatitis virus MIC = 200.0 ug.mL-1 Evaluation for antiviral activity against vesion stomatitis virus in primary rabbit kidney cell culture CHEMBL1123547
Oryctolagus cuniculus MCC > 0.4 ug.mL-1 Minimum cytotoxic concentration required to cause a microscopically detectable alteration of normal cell morphology and show antiviral activity in primary rabbit kidney (PRK) cells CHEMBL1124462
HeLa MCC > 0.4 ug.mL-1 Minimum cytotoxic concentration required to cause a microscopically detectable alteration of normal cell morphology and show antiviral activity in HeLa cells CHEMBL1124462
Vero MCC > 0.4 ug.mL-1 Minimum cytotoxic concentration required to cause a microscopically detectable alteration of normal cell morphology and show antiviral activity in african green monkey (Vero B) cells CHEMBL1124462
ADMET MIC > 0.1 ug.mL-1 Minimum inhibitory concentration required to reduce herpes simplex virus-1 (KOS)induced cytopathogenicity by 50% in primary rabbit kidney cells (PRK) CHEMBL1124462
ADMET MIC > 0.1 ug.mL-1 Minimum inhibitory concentration required to reduce herpes simplex virus-2 (G)induced cytopathogenicity by 50% in primary rabbit kidney cells (PRK) CHEMBL1124462
Vaccinia virus MIC = 0.07 ug.mL-1 Minimum inhibitory concentration required to reduce vaccinia virus induced cytopathogenicity by 50% in primary rabbit kidney cells (PRK) CHEMBL1124462
ADMET MIC = 0.2 ug.mL-1 Minimum inhibitory concentration required to reduce vesicular stomatitis virus induced cytopathogenicity by 50% in primary rabbit kidney cells (PRK) CHEMBL1124462
HeLa MIC = 0.07 ug.mL-1 Minimum inhibitory concentration required to reduce vesicular stomatitis virus induced cytopathogenicity by 50% in HeLa cells CHEMBL1124462
HeLa MIC = 0.07 ug.mL-1 Minimum inhibitory concentration required to reduce polio virus -1 induced cytopathogenicity by 50% in HeLa cells CHEMBL1124462
HeLa MIC = 0.07 ug.mL-1 Minimum inhibitory concentration required to reduce Coxsackie virus B4 induced cytopathogenicity by 50% in HeLa cells CHEMBL1124462
Vero MIC = 0.07 ug.mL-1 Minimum inhibitory concentration required to reduce Coxsackie virus B4 induced cytopathogenicity by 50% in african green monkey (VeroB) cells CHEMBL1124462
Sindbis virus MIC = 0.1 ug.mL-1 Minimum inhibitory concentration required to reduce Sindbis virus induced cytopathogenicity by 50% in african green monkey (VeroB) cells CHEMBL1124462
Vero MIC = 0.07 ug.mL-1 Minimum inhibitory concentration required to reduce parainfluenza virus-3 induced cytopathogenicity by 50% in african green monkey (VeroB) cells CHEMBL1124462
Mammalian orthoreovirus 1 MIC = 0.07 ug.mL-1 Minimum inhibitory concentration required to reduce reovirus-1 induced cytopathogenicity by 50% in african green monkey (VeroB)cells CHEMBL1124462
Semliki forest virus MIC > 0.4 ug.mL-1 Minimum inhibitory concentration required to reduce semliki forest virus induced cytopathogenicity by 50% in african green monkey (VeroB) cells CHEMBL1124462
L1210 IC50 = 0.018000000000000002 ug.mL-1 In vitro inhibition of L1210 (murine leukemia) cell growth. CHEMBL1122632
L1210 IC50 = 67.7 nM In vitro inhibition of L1210 (murine leukemia) cell growth. CHEMBL1122632
Human herpesvirus 5 IC50 = 500.0 nM Tested for antiviral activity against human cytomegalovirus by plaque assay CHEMBL1127034
HFF IC50 = 400.0 nM Tested for cytotoxicity in human foreskin fibroblasts at time of HCMV plaque enumeration CHEMBL1127034
ADMET IC50 = 1000.0 nM Tested for the inhibition against KB cell growth CHEMBL1127034
L1210 IC50 = 43.0 nM Tested for in vitro cell growth inhibition of L1210 cells CHEMBL1127034
Homo sapiens IC50 = 60.0 nM Tested for in vitro cell growth inhibition of H. Ep. 2 cells CHEMBL1127034
CHO-K1-BH4 Inhibition = 100.0 % Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the absence of S-9 microsome fraction at concentration 114*10e-4 micro M CHEMBL1128406
CHO-K1-BH4 Inhibition = 92.0 % Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the presence of S-9 microsome fraction at concentration 11.4*10e-4 micro M CHEMBL1128406
CHO-K1-BH4 Inhibition = 16.0 % Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the absence of S-9 microsome fraction at concentration 1.1*10e-4 micro M CHEMBL1128406
CHO-K1-BH4 Inhibition = 10.0 % Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the presence of S-9 microsome fraction at concentration 0.1*10e-4 micro M CHEMBL1128406
CHO-K1-BH4 Inhibition = 11.0 % Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the absence of S-9 microsome fraction at concentration 9 micro M CHEMBL1128406
CHO-K1-BH4 Inhibition = 100.0 % Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the presence of S-9 microsome fraction at concentration 114*10e-4 micro M CHEMBL1128406
CHO-K1-BH4 Inhibition = 80.0 % Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the absence of S-9 microsome fraction at concentration 11.4*10e-4 micro M CHEMBL1128406
CHO-K1-BH4 Inhibition = 9.0 % Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the presence of S-9 microsome fraction at concentration 1.1*10e-4 micro M CHEMBL1128406
CHO-K1-BH4 Inhibition = 4.0 % Compound is tested for cytotoxicity in Chinese hamster ovary cells (CHO-K1-BH4) in the absence of S-9 microsome fraction at concentration 0.1*10e-4 micro M CHEMBL1128406
Mus musculus grade = 1.17 Compound is evaluated for the ability to inhibit the passive cutaneous anaphylaxis (PCA) reaction in mouse in presence of Ag CHEMBL1128406
Human herpesvirus 1 MIC > 0.2 ug.mL-1 Antiviral activity against HSV-1(KOS) strain in primary rabbit kidney (PRK) / embryonic skin-muscle (E6SM) fibroblast culture lines CHEMBL1126104
Human herpesvirus 2 MIC = 0.2 ug.mL-1 Antiviral activity against HSV-2(G) strain in primary rabbit kidney (PRK) / embryonic skin-muscle (E6SM) fibroblast culture lines CHEMBL1126104
Vaccinia virus MIC > 0.1 ug.mL-1 Antiviral activity against vaccinia virus (VV) in primary rabbit kidney (PRK) / embryonic skin-muscle (E6SM) fibroblast culture lines CHEMBL1126104
Vesicular stomatitis virus MIC = 0.07 ug.mL-1 Antiviral activity against vesicular stomatitis virus (VSV) in primary rabbit kidney (PRK) / embryonic skin-muscle (E6SM) fibroblast culture lines CHEMBL1126104
Vesicular stomatitis virus MIC = 0.07 ug.mL-1 Antiviral activity against vesicular stomatitis virus (VSV) in HeLa cell culture lines, CHEMBL1126104
Human poliovirus 1 MIC = 0.2 ug.mL-1 Antiviral activity against polio virus type 1 in HeLa cell culture lines CHEMBL1126104
Human coxsackievirus B4 MIC = 0.2 ug.mL-1 Antiviral activity against coxsackie B4 virus in HeLa cell culture lines CHEMBL1126104
Human coxsackievirus B4 MIC = 0.07 ug.mL-1 Antiviral activity against coxsackie B4 in Vero cell culture lines CHEMBL1126104
Human parainfluenza virus 3 MIC = 0.02 ug.mL-1 Antiviral activity against parainfluenza virus type 3 in Vero cell culture lines CHEMBL1126104
Mammalian orthoreovirus 1 MIC = 0.02 ug.mL-1 Antiviral activity against reovirus type 1 in Vero cell culture lines CHEMBL1126104
Sindbis virus MIC > 0.1 ug.mL-1 Antiviral activity against sindbis virus in Vero cell culture lines CHEMBL1126104
Semliki forest virus MIC > 0.1 ug.mL-1 Antiviral activity against semliki forest virus (SFV) in Vero cell culture lines CHEMBL1126104
Human herpesvirus 5 IC50 = 500.0 nM Inhibitory concentration against human cytomegalovirus (HCMV) in plaque reduction assay CHEMBL1123999
HFF IC50 = 400.0 nM Cytotoxicity against uninfected human foreskin fibroblast(HFF cells) CHEMBL1123999
ADMET IC50 = 600.0 nM Cytotoxicity against human neoplastic cell line(KB cells) CHEMBL1123999
L1210 IC50 = 43.0 nM Cytotoxicity in L1210 cell culture. CHEMBL1129959
Homo sapiens MCC > 0.4 ug.mL-1 Minimum cytotoxic concentration in primary rabbit kidney cell cultures CHEMBL1124622
ADMET MIC = 0.4 ug.mL-1 Minimum inhibitory concentration against Herpes simplex virus 1(KOS) in primary rabbit kidney cell cultures CHEMBL1124622
ADMET MIC = 0.4 ug.mL-1 Minimum inhibitory concentration against Herpes simplex virus 2 (G) in primary rabbit kidney cell cultures CHEMBL1124622
Vaccinia virus MIC = 0.1 ug.mL-1 Minimum inhibitory concentration against Vaccinia virus in primary rabbit kidney cell cultures CHEMBL1124622
Vesicular stomatitis virus MIC = 0.07 ug.mL-1 Minimum inhibitory concentration against Vesicular stomatitis virus in primary rabbit kidney cell cultures CHEMBL1124622
HeLa MCC > 0.4 ug.mL-1 Minimum cytotoxic concentration in HeLa cell cultures CHEMBL1124622
HeLa MIC = 0.07 ug.mL-1 Minimum inhibitory concentration against Vesicular stomatitis virus in HeLa cell cultures CHEMBL1124622
HeLa MIC = 0.4 ug.mL-1 Minimum inhibitory concentration against Coxsackie virus B4 in HeLa cell cultures CHEMBL1124622
HeLa MIC = 0.4 ug.mL-1 Minimum inhibitory concentration against polio virus 1 in HeLa cell cultures CHEMBL1124622
Vero MCC = 0.4 ug.mL-1 Minimum cytotoxic concentration in Vero cell cultures CHEMBL1124622
Human parainfluenza virus 3 MIC > 0.1 ug.mL-1 Minimum inhibitory concentration against parainfluenza 3 virus in Vero cell cultures CHEMBL1124622
Mammalian orthoreovirus 1 MIC > 0.1 ug.mL-1 Minimum inhibitory concentration against reovirus in Vero cell cultures CHEMBL1124622
Sindbis virus MIC = 0.2 ug.mL-1 Minimum inhibitory concentration against Sindbis virus in Vero cell cultures CHEMBL1124622
Human coxsackievirus B4 MIC > 0.1 ug.mL-1 Minimum inhibitory concentration against Coxsackie virus B4 in Vero cell cultures CHEMBL1124622
Semliki forest virus MIC > 0.1 ug.mL-1 Minimum inhibitory concentration against forest virus in Vero cell cultures CHEMBL1124622
ADMET MCC >= 0.4 ug.mL-1 Concentration required for microscopically detectable alteration of the normal cell morphology in PRK cells. CHEMBL1123394
HeLa MCC >= 1.0 ug.mL-1 Concentration required for microscopically detectable alteration of the normal cell morphology in HeLa cells. CHEMBL1123394
Vero MCC >= 0.4 ug.mL-1 Concentration required for microscopically detectable alteration of the normal cell morphology in Vero B cells. CHEMBL1123394
WI-38 MCC = 0.4 ug.mL-1 Concentration required for microscopically detectable alteration of the normal cell morphology in Wi-38 cells. CHEMBL1123394
ADMET MCC > 0.1 ug.mL-1 Antiviral activity was measured against Herpes simplex virus (HSV-1 KOS) in rabbit kidney cells. CHEMBL1123394
ADMET MCC > 0.1 ug.mL-1 Antiviral activity was measured against Herpes simplex virus (HSV-2 G) in rabbit kidney cells. CHEMBL1123394
ADMET MCC > 0.1 ug.mL-1 Antiviral activity was measured against vaccinia virus in rabbit kidney cells. CHEMBL1123394
ADMET MCC = 0.07 ug.mL-1 Antiviral activity was measured against vesicular stomatitis virus in rabbit kidney cells. CHEMBL1123394
HeLa MCC = 0.07 ug.mL-1 Antiviral activity was measured against vesicular stomatitis virus in HeLa cells. CHEMBL1123394
HeLa MCC = 0.2 ug.mL-1 Antiviral activity was measured against polio virus-1 in HeLa cells. CHEMBL1123394
HeLa MCC = 0.2 ug.mL-1 Antiviral activity was measured against Coxsackie virus B4 in HeLa cells. CHEMBL1123394
Vero MCC > 0.1 ug.mL-1 Antiviral activity was measured against Coxsackie virus B4 in african green monkey kidney (Vero B) cells. CHEMBL1123394
Vero MCC = 0.2 ug.mL-1 Antiviral activity was measured against Parainfluenza virus-3 in african green monkey kidney (Vero B) cells. CHEMBL1123394
Vero MCC = 0.1 ug.mL-1 Antiviral activity was measured against Reo virus-1 in african green monkey kidney (Vero B) cells. CHEMBL1123394
Vero MCC > 0.1 ug.mL-1 Antiviral activity was measured against Sindbis virus in african green monkey kidney (Vero B) cells. CHEMBL1123394
Vero MCC > 0.4 ug.mL-1 Antiviral activity was measured against forest virus in african green monkey kidney (Vero B) cells. CHEMBL1123394
WI-38 MCC = 0.01 ug.mL-1 Antiviral activity was measured against Rhino virus-1A in human diploid (WI-38) cells. CHEMBL1123394
WI-38 MCC = 0.006999999999999999 ug.mL-1 Antiviral activity was measured against Rhino virus-9 in human diploid (WI-38) cells. CHEMBL1123394
L1210 IC50 = 40.0 nM In vitro cytotoxicity was evaluated against the L1210 Murine leukemic cells CHEMBL1124393
Human herpesvirus 5 IC50 = 500.0 nM Antiviral activity of the compound was evaluated against the Human cytomegalo virus (HCMV) CHEMBL1124393
ADMET IC50 = 300.0 nM Cytotoxicity was evaluated against the Human diploid cells (HFF) CHEMBL1124393
ADMET IC50 = 700.0 nM Cytotoxicity was evaluated in Human neoplastic cell line (KB) CHEMBL1124393
ADMET MCC > 1.0 ug.mL-1 Minimum cytotoxic concentration in primary rabbit kidney (PRK) cell cultures CHEMBL1124666
Human herpesvirus 1 MIC > 0.4 ug.mL-1 Minimum inhibitory concentration against Herpes simplex virus 1(KOS) CHEMBL1124666
Human herpesvirus 2 MIC > 0.4 ug.mL-1 Minimum inhibitory concentration against Herpes simplex virus 2(G) CHEMBL1124666
Vaccinia virus MIC > 0.1 ug.mL-1 Minimum inhibitory concentration against Vaccinia virus CHEMBL1124666
Vesicular stomatitis virus MIC = 0.2 ug.mL-1 Minimum inhibitory concentration against Vesicular stomatitis virus CHEMBL1124666
Vaccinia virus MCC > 0.4 ug.mL-1 Minimum cytotoxic concentration against vaccinia virus in primary rabbit kidney cell cultures CHEMBL1124666
Vaccinia virus MCC > 1.0 ug.mL-1 Minimum cytotoxic concentration against vaccinia virus in HeLa cell cultures CHEMBL1124666
Vaccinia virus MCC > 0.4 ug.mL-1 Minimum cytotoxic concentration against vaccinia virus in Vero cell cultures CHEMBL1124666
Vaccinia virus MCC > 0.1 ug.mL-1 Minimum cytotoxic concentration against vaccinia virus embryonic skin muscle cell cultures CHEMBL1124666
Vaccinia virus MIC > 0.1 ug.mL-1 Minimum inhibitory concentration against vaccinia virus in primary rabbit kidney cell cultures of experiment 1 CHEMBL1124666
Vaccinia virus MIC = 0.2 ug.mL-1 Minimum inhibitory concentration against vaccinia virus in primary rabbit kidney cell cultures of experiment 2 CHEMBL1124666
Vaccinia virus MIC = 0.2 ug.mL-1 Minimum inhibitory concentration against vaccinia virus in primary rabbit kidney cell cultures of experiment 2 CHEMBL1124666
Vaccinia virus MIC = 0.02 ug.mL-1 Minimum inhibitory concentration against vaccinia virus in Vero cell cultures of experiment 1 CHEMBL1124666
Vaccinia virus MIC = 0.02 ug.mL-1 Minimum inhibitory concentration against vaccinia virus in Vero cell cultures of experiment 2 CHEMBL1124666
Vaccinia virus MIC = 0.07 ug.mL-1 Minimum inhibitory concentration against vaccinia virus embryonic skin muscle cell cultures CHEMBL1124666
P388 ID50 = 3.8 M Compound (1 x 10e-4 M) was evaluated in vitro for its ability to inhibit the growth of the murine leukemia P388 CHEMBL1124515
L1210 ID50 = 5.4 M Compound (1 x 10e-4 M) was evaluated in vitro for its ability to inhibit the growth of the murine leukemia L1210 CHEMBL1124515
HL-60 ID50 = 1.0 M Compound (1 x 10e-4 M) was evaluated in vitro for its ability to inhibit the growth of the human promyelocytic leukemia HL-60 CHEMBL1124515
ADMET ID50 = 5.2 M Compound (1 x 10e-4 M) was evaluated in vitro for its ability to inhibit the growth of the human epidermoid carcinoma KB CHEMBL1124515
ADMET MCC = 1.0 ug.mL-1 Minimum cytotoxic concentration (MCC) required to cause a microscopically detectable alteration of host cell morphology, when incubated with PRK cells CHEMBL1123770
HeLa MCC > 1.0 ug.mL-1 Minimum cytotoxic concentration (MCC) required to cause a microscopically detectable alteration of host cell morphology, when incubated with HeLa cells CHEMBL1123770
Vero MCC > 0.4 ug.mL-1 Minimum cytotoxic concentration (MCC) required to cause a microscopically detectable alteration of host cell morphology, when incubated with Vero B cells CHEMBL1123770
WI-38 MCC > 4.0 ug.mL-1 Minimum cytotoxic concentration (MCC) required to cause a microscopically detectable alteration of host cell morphology, when incubated with WI-38 cells CHEMBL1123770
Oryctolagus cuniculus MIC > 0.4 ug.mL-1 Minimum inhibitory concentration (MIC) required to reduce virus-induced cytopathogenicity by 50% against KOS strain of Herpes simplex virus-1 in primary rabbit kidney cells CHEMBL1123770
Oryctolagus cuniculus MIC > 0.4 ug.mL-1 Minimum inhibitory concentration (MIC) required to reduce virus-induced cytopathogenicity by 50% against G strain of Herpes simplex virus-2 in primary rabbit kidney cells CHEMBL1123770
Oryctolagus cuniculus MIC = 0.2 ug.mL-1 Minimum inhibitory concentration (MIC) required to reduce virus-induced cytopathogenicity by 50% against Vaccinia virus in primary rabbit kidney cells CHEMBL1123770
Oryctolagus cuniculus MIC = 0.07 ug.mL-1 Minimum inhibitory concentration (MIC) required to reduce virus-induced cytopathogenicity by 50% against Vesicular stomatitis virus in primary rabbit kidney cells CHEMBL1123770
HeLa MIC = 0.07 ug.mL-1 Minimum inhibitory concentration (MIC) required to reduce virus-induced cytopathogenicity by 50% against Vesicular stomatitis virus in HeLa cells CHEMBL1123770
HeLa MIC = 0.07 ug.mL-1 Minimum inhibitory concentration (MIC) required to reduce virus-induced cytopathogenicity by 50% against Polio virus-1 in HeLa cells CHEMBL1123770
HeLa MIC = 0.2 ug.mL-1 Minimum inhibitory concentration (MIC) required to reduce virus-induced cytopathogenicity by 50% against Coxsackie virus B4 in HeLa cells CHEMBL1123770
Vero MIC = 0.2 ug.mL-1 Minimum inhibitory concentration (MIC) required to reduce virus-induced cytopathogenicity by 50% against Coxsackie virus B4 in African green monkey kidney (Vero B)cells CHEMBL1123770
Vero MIC > 0.1 ug.mL-1 Minimum inhibitory concentration (MIC) required to reduce virus-induced cytopathogenicity by 50% against Parainfluenza virus-3 in African green monkey kidney (Vero B)cells CHEMBL1123770
Vero MIC > 0.1 ug.mL-1 Minimum inhibitory concentration (MIC) required to reduce virus-induced cytopathogenicity by 50% against Reo virus-1 in African green monkey kidney (Vero B)cells CHEMBL1123770
Vero MIC = 0.2 ug.mL-1 Minimum inhibitory concentration (MIC) required to reduce virus-induced cytopathogenicity by 50% against Sindbis virus in African green monkey kidney (Vero B)cells CHEMBL1123770
Vero MIC > 0.4 ug.mL-1 Minimum inhibitory concentration (MIC) required to reduce virus-induced cytopathogenicity by 50% against forest virus in African green monkey kidney (Vero B)cells CHEMBL1123770
WI-38 MIC = 0.02 ug.mL-1 Minimum inhibitory concentration (MIC) required to reduce virus-induced cytopathogenicity by 50% against Rhinovirus-1A in human diploid (WI-38)cells CHEMBL1123770
WI-38 MIC > 4.0 ug.mL-1 Minimum inhibitory concentration (MIC) required to reduce virus-induced cytopathogenicity by 50% against Rhinovirus 9 in human diploid (WI-38)cells CHEMBL1123770
L1210 Control = 0.0 % In vitro antiproliferative effect against growth rate of L1210 cells at 100 uM concentration CHEMBL1126319
L1210 IC50 = 40.0 nM Concentration required to decrease the growth rate to 50% of control was evaluated by determining their ability to inhibit growth of L1210 cells in vitro. CHEMBL1126319
Homo sapiens Of control = 0.0 % In vitro antiproliferative effect against growth rate of H. Ep.2 cells at 100 uM concentration CHEMBL1126319
Homo sapiens IC50 = 60.0 nM Concentration required to decrease the growth rate to 50% of control was evaluated by determining their ability to inhibit growth of H.Ep.2 cells in vitro. CHEMBL1126319
Human herpesvirus 5 IC50 = 500.0 nM Concentration required to decrease the growth rate to 50% of control was evaluated against HCMV by using plaque reduction assay. CHEMBL1126319
ADMET IC50 = 400.0 nM Cytotoxicity of compound was determined visually in human diploid fibroblasts (HFF). CHEMBL1126319
KB IC50 = 1000.0 nM Cytotoxicity of compound was determined by assaying cell growth in human neoplastic cell line(KB). CHEMBL1126319
Adenosine A1 receptor Ki > 100000.0 nM Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand. CHEMBL1128285
Adenosine A2a receptor Displacement = 48.0 % Binding affinity determined on Adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand. CHEMBL1128285
Adenosine A3 receptor Displacement = 39.0 % Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably transfected with the rat Adenosine A3 receptor CHEMBL1128285
Unchecked MPR = 0.071 Coronary vasoactivity as molar potency ratio (MPR), the quotient of ED50 of adenosine by that of the test nucleoside CHEMBL1122693
Adenosine deaminase Ki nM Inhibition constant against calf intestinal adenosine deaminase; Not active CHEMBL1125631
Adenosine kinase IC50 = 10000.0 nM Inhibition of recombinant human adenosine kinase CHEMBL1133459
Unchecked Km = 9500.0 nM Activity of rabbit liver adenosine kinase CHEMBL1143932
Unchecked Vmax = 3.57 microM/min Activity of rabbit liver adenosine kinase CHEMBL1143932
Unchecked Ki = 500.0 nM Inhibition of rabbit liver adenosine kinase CHEMBL1143932
NON-PROTEIN TARGET Activity Growth inhibition of mouse L2 cells at 37 uM CHEMBL1143932
Unchecked Activity = 114.0 Activity of rabbit liver adenosine kinase relative to adenosine CHEMBL1143932
P388 Activity Cytotoxicity against mouse P388 cells CHEMBL1147386
ADMET IC50 = 1440.0 nM Cytotoxicity against human HeLaS3 cells after 7 hrs by celltiter-glo assay CHEMBL1269004
ADMET IC50 = 819.0 nM Cytotoxicity against human HeLaS3 cells after 24 hrs by celltiter-glo assay CHEMBL1269004
ADMET IC50 = 400.0 nM Cytotoxicity against human HeLaS3 cells after 48 hrs by celltiter-glo assay CHEMBL1269004
Poliovirus IC50 = 30.0 nM Antiviral activity against Poliovirus infected in human HeLaS3 cells assessed as inhibition of viral replication treated 1 hr before infection measured after 2 days CHEMBL1269004
Dengue virus 2 IC50 Antiviral activity against Dengue virus type 2 in BHK-21 cells assessed as inhibition of viral replication after 24 hrs by luciferase assay CHEMBL1269004
Unchecked EC50 = 204.0 nM PUBCHEM_BIOASSAY: Luminescence Cell-Based HTS Dose Confirmation to Identify Inhibitors of of 5'UTR Stem-Loop Driven Alpha-Synuclein mRNA Translation in H4 Neuroglioblastoma Cells. (Class of assay: confirmatory) [Related pubchem assays: 1813 (Primary HTS), 1827 (Project Summary)] CHEMBL1201862
Unchecked EC50 < 100.0 nM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibitors of Luciferase Translation or Activity in H4 Neuroglioblastoma Cells. (Class of assay: confirmatory) [Related pubchem assays: 1813 (Primary HTS), 1827 (Project Summary)] CHEMBL1201862
Unchecked EC50 = 252.0 nM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors of Luciferase Translation or Activity in H4-C Neuroglioblastoma Cells. (Class of assay: confirmatory) [Related pubchem assays: 1813 (Primary HTS), 1827 (Project Summary)] CHEMBL1201862
BJ EC50 = 5044.0 nM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT-LT-ST RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] CHEMBL1201862
Nuclear receptor ROR-gamma Potency = 1122.0 nM PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) CHEMBL1201862
Heat shock factor protein 1 EC50 = 3057.0 nM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] CHEMBL1201862
Unchecked IC50 = 2438.0 nM PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium tuberculosis H37Rv. (Class of assay: confirmatory) CHEMBL1201862
Unchecked EC50 = 4118.0 nM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to DRD Non-Viral Oncogenic Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] CHEMBL1201862
BJ EC50 = 2082.0 nM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] CHEMBL1201862
Nuclear receptor ROR-gamma Potency = 631.0 nM PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) CHEMBL1201862
BJ EC50 = 5450.0 nM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Compounds Cytotoxic to BJeLR RAS-Dependent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] CHEMBL1201862
Unchecked EC50 = 223.0 nM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors of 5&apos;UTR Stem-Loop Driven Prion Protein mRNA Translation in H4-C Neuroglioblastoma Cells. (Class of assay: confirmatory) [Related pubchem assays: 1827 (Project Summary), 1813 (Primary HTS)] CHEMBL1201862
Unchecked EC50 < 100.0 nM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of of 5&apos;UTR Stem-Loop Driven Alpha-Synuclein mRNA Translation in H4 Neuroglioblastoma Cells. (Class of assay: confirmatory) [Related pubchem assays: 1827 (Project Summary), 1813 (Primary HTS)] CHEMBL1201862
Bacillus anthracis IC50 Inhibition of inosine/L-alanine-induced Bacillus anthracis Sterne 34F2 spore germination pretreated for 15 mins before inosine/L-alanine challenge CHEMBL1687814
Bacillus anthracis IC50 Antibacterial activity against Bacillus anthracis Sterne 34F2 infected in mouse J774A.1 cells assessed as protection against bacteria-induced cytotoxicity using propidium iodide staining after 3 hrs measured every hours for up to 7 hrs CHEMBL1687814
J774.A1 Activity Cytotoxicity against mouse J774A1 cells CHEMBL1687814
Unchecked Potency 9200.0 nM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors: counterscreen for cytotoxicity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504444] CHEMBL1201862
Nuclear factor erythroid 2-related factor 2 Potency 3662.6 nM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] CHEMBL1201862
Heat shock factor protein 1 AC50 = 10488.0 nM PUBCHEM_BIOASSAY: HSF-1 induced GFP reporter and Doxycycline induced RFP reporter Measured in Cell-Based System Using Plate Reader - 2038-03_Inhibitor_DoseNoFile_CherryPick_Activity_Set3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2118] CHEMBL1201862
Unchecked IC50 = 1010.0 nM PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of both B-cell and T-cell specific antigen receptor-induced NF-kB activation in a 697B cell line using a luminescence assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID435003, AID435022, AID465, AID489029] CHEMBL1201862
Unchecked IC50 > 80000.0 nM PUBCHEM_BIOASSAY: Dose response cytotoxicity of uHTS chemical inhibitors of both B-cell and T-cell specific antigen receptor-induced NF-kB activation in a HEK-293T cell line using a luminescence assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID435003, AID435022, AID465, AID489020, AID489029] CHEMBL1201862
Unchecked IC50 = 7420.0 nM PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of both B-cell and T-cell specific antigen receptor-induced NF-kB activation in a HEK-293T cell line using a luminescence assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID435003, AID435022, AID465, AID489019, AID489029] CHEMBL1201862
Heat shock factor protein 1 AC50 = 3174.0 nM PUBCHEM_BIOASSAY: HSF-1 induced GFP reporter and Doxycycline induced RFP reporter Measured in Cell-Based System Using Plate Reader - 2038-03_Inhibitor_DoseNoFile_CherryPick_Internal-Standard_Set3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2118] CHEMBL1201862
A549 GI50 = 1.0 nM Cytostatic activity against human A549 cells after 5 days by SRB assay CHEMBL1811802
NCI-H23 GI50 = 11.0 nM Cytostatic activity against human NCI-H23 cells after 5 days by SRB assay CHEMBL1811802
DU-145 GI50 = 18.0 nM Cytostatic activity against human DU145 cells after 5 days by SRB assay CHEMBL1811802
PC-3 GI50 = 48.0 nM Cytostatic activity against human PC3 cells after 5 days by SRB assay CHEMBL1811802
HCT-116 GI50 = 1.0 nM Cytostatic activity against human HCT116 cells after 5 days by SRB assay CHEMBL1811802
HCT-15 GI50 = 11.0 nM Cytostatic activity against human HCT15 cells after 5 days by SRB assay CHEMBL1811802
Unchecked GI50 = 98.0 nM Cytostatic activity against human Hs578 cells after 5 days by SRB assay CHEMBL1811802
BT-549 GI50 Cytostatic activity against human BT549 cells after 5 days by SRB assay CHEMBL1811802
MT4 GI50 = 21.0 nM Cytostatic activity against human MT4 cells after 5 days by SRB assay CHEMBL1811802
Jurkat IC50 = 7830.0 nM PUBCHEM_BIOASSAY: Dose response confirmation of uHTS of chemical inhibitors of both B-cell and T-cell specific antigen receptor-induced NF-kB activation in a Jurkat cell line using a luminescence assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID435003, AID435022, AID465, AID489029] CHEMBL1201862
Chromobox protein homolog 1 Potency 11220.2 nM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] CHEMBL1201862
DNA polymerase iota Potency 100000.0 nM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] CHEMBL1201862
HepG2 Potency 1000.0 nM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] CHEMBL1201862
Unchecked Potency 316.2 nM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Cell Surface uPA Generation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493178] CHEMBL1201862
Mothers against decapentaplegic homolog 3 Potency 446.7 nM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] CHEMBL1201862
BJ EC50 < 104.0 nM PUBCHEM_BIOASSAY: Fluorescence Cell-Based Dose Response to Characterize Compounds Cytotoxic to RAS-Dependent BJ-TERT-LT-ST Fibroblast. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1554, AID1674] CHEMBL1201862
HEK293 Activity > 2.5 uM Cytotoxicity against human HEK293 cells CHEMBL1909608
Programmed cell death protein 4 max activation = 94.2 % Stabilization of Pdcd4 expressed in TPA-stimulated human HEK293 cells at 2.5 uM by luciferase reporter assay CHEMBL1909608
Programmed cell death protein 4 IC50 = 880.0 nM Stabilization of Pdcd4 expressed in human HEK293 cells assessed as inhibition of TPA-induced degradation by luciferase reporter assay CHEMBL1909608
Geminin Potency 517.4 nM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) CHEMBL1201862
Unchecked Potency 1584.9 nM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists: Cytotox Screen. (Class of assay: confirmatory) CHEMBL1201862
Unchecked Potency 35481.3 nM PubChem BioAssay. qHTS Assay for Inhibitors of Hepatitis C Virus (HCV). (Class of assay: confirmatory) CHEMBL1201862
Geminin Potency 651.3 nM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) CHEMBL1201862
Ataxin-2 Potency 3162.3 nM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) CHEMBL1201862
Glucagon-like peptide 1 receptor Potency 1584.9 nM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) CHEMBL1201862
Acetylcholinesterase Inhibition = 4.48 % Inhibition of electric eel AChE at 2 mg/ml by Ellman's method CHEMBL2163249
Cholinesterase Inhibition = -12.3 % Inhibition of horse BChE at 2 mg/ml by Ellman's method CHEMBL2163249
Unchecked Potency 819.9 nM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-IDH1KD cell line. (Class of assay: confirmatory) CHEMBL1201862
Tyrosyl-DNA phosphodiesterase 1 Potency 145.8 nM PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in absence of CPT. (Class of assay: confirmatory) CHEMBL1201862
Tyrosyl-DNA phosphodiesterase 1 Potency 20.6 nM PubChem BioAssay. qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in presence of CPT. (Class of assay: confirmatory) CHEMBL1201862
Isocitrate dehydrogenase [NADP] cytoplasmic Potency 651.3 nM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) CHEMBL1201862
Unchecked Potency 1412.5 nM PubChem BioAssay. qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primary qHTS. (Class of assay: confirmatory) CHEMBL1201862
Unchecked AC50 = 2770.0 nM PubChem BioAssay. Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition Measured in Cell-Based System Using Plate Reader - 7011-01_Antagonist_Dose_CherryPick_Activity_Set2. (Class of assay: confirmatory) CHEMBL1201862
Mothers against decapentaplegic homolog 3 Potency 819.9 nM PubChem BioAssay. qHTS for Inhibitors of TGF-b: CCL64 Cells Orthogonal Assay for Cherry Picks. (Class of assay: confirmatory) CHEMBL1201862
NON-PROTEIN TARGET AC50 = 91.2 nM PubChem BioAssay. A549 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-06_Antagonist_Dose_CherryPick_Activity. (Class of assay: confirmatory) CHEMBL1201862
NON-PROTEIN TARGET AC50 = 250.0 nM PubChem BioAssay. HepG2 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-02_Antagonist_Dose_CherryPick_Activity. (Class of assay: confirmatory) CHEMBL1201862
Unchecked Potency 920.0 nM PubChem BioAssay. qHTS for Inhibitors of TGF-b: Cytotox Counterscreen for Cherry Picks. (Class of assay: confirmatory) CHEMBL1201862
Unchecked Potency 2511.9 nM PubChem BioAssay. qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) CHEMBL1201862
Unchecked AC50 = 3980.0 nM PubChem BioAssay. LGR2:Counterscreen with MC4R Measured in Cell-Based System Using Plate Reader - 7011-02_Antagonist_Dose_CherryPick_Activity. (Class of assay: confirmatory) CHEMBL1201862
Parathyroid hormone receptor Potency 35481.3 nM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) CHEMBL1201862
Mothers against decapentaplegic homolog 3 Potency 580.5 nM PubChem BioAssay. qHTS for Inhibitors of TGF-b: Confirmation of Cherry Picks. (Class of assay: confirmatory) CHEMBL1201862
Unchecked Potency 1778.3 nM PubChem BioAssay. qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: Venus Reporter Primary qHTS. (Class of assay: confirmatory) CHEMBL1201862
NON-PROTEIN TARGET AC50 = 1600.0 nM PubChem BioAssay. HEK293 Cytotoxicity Assay Measured in Cell-Based System Using Plate Reader - 7071-01_Antagonist_Dose_CherryPick_Activity. (Class of assay: confirmatory) CHEMBL1201862
Unchecked Potency 819.9 nM PubChem BioAssay. Nrf2 qHTS screen for inhibitors: A549 ARE-Fluc Cytotoxicity Counterscreen for Hit Validation. (Class of assay: confirmatory) CHEMBL1201862
Mothers against decapentaplegic homolog 3 Potency 9200.0 nM PubChem BioAssay. qHTS for Inhibitors of TGF-b: Hit Validation in HepG2 Cells using COP promoter. (Class of assay: confirmatory) CHEMBL1201862
Guanine nucleotide-binding protein G(s), subunit alpha Potency 25118.9 nM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) CHEMBL1201862
Unchecked Potency 1412.5 nM PubChem BioAssay. qHTS for Inhibitors of binding or entry into cells for Marburg Virus. (Class of assay: confirmatory) CHEMBL1201862
Nuclear factor erythroid 2-related factor 2 Potency 651.3 nM PubChem BioAssay. Nrf2 qHTS screen for inhibitors: Nrf2 A549 ARE-Fluc Confirmation Assay for Hit Validation. (Class of assay: confirmatory) CHEMBL1201862
Unchecked Potency 28183.8 nM PubChem BioAssay. High Throughput Screening for Foot and Mouth Disease Virus Antivirals. (Class of assay: confirmatory) CHEMBL1201862
Heat shock cognate 71 kDa protein Kd = 28183.83 nM Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis CHEMBL3822412
Heat shock cognate 71 kDa protein Kd = 28000.0 nM Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis CHEMBL3822412
NS5 EC50 = 1300.0 nM Inhibition of RNA-dependent RNA polymerase in Zika virus MR766 infected in African green monkey Vero cells assessed as antiviral activity by measuring reduction in virus-induced cytopathic effect after 5 days by MTS assay CHEMBL4354808
NS5 EC50 = 1300.0 nM Inhibition of RNA-dependent RNA polymerase in Zika virus MR766 infected in African green monkey Vero cells assessed as antiviral activity by measuring reduction in virus-yield CHEMBL4354808
NS5 EC50 = 1300.0 nM Inhibition of RNA-dependent RNA polymerase in Zika virus MR766 infected in African green monkey Vero cells assessed as antiviral activity by methylene blue staining based by Plaque reduction assay CHEMBL4354808
NS5 EC50 = 1300.0 nM Inhibition of RNA-dependent RNA polymerase in Zika virus MR766 infected in African green monkey Vero cells assessed as antiviral activity by Alexa Fluor 488/DAPI staining based assay CHEMBL4354808
Vero CC50 > 357000.0 nM Cytotoxicity against African green monkey Vero cells by visual method CHEMBL4354808
Plasmodium falciparum IC37 = 0.7 uM Antimalarial activity against Plasmodium falciparum FCQ-27 isolate infected in erythrocytes assessed as reduction in [G-3H]Hypoxanthine incorporation incubated for 24 hrs followed by addition of [G-3H]Hypoxanthine and measured after 18 to 20 hrs by scintillation counting method CHEMBL4376805
Trypanosoma brucei brucei EC50 = 480.0 nM Antitrypanosomal activity against Trypanosoma brucei brucei Squib 427 after 48 hrs by alamar blue assay CHEMBL4422651
Trypanosoma brucei rhodesiense EC50 Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB-900 after 48 hrs by alamar blue assay CHEMBL4422651
Unchecked Ratio EC50 = 4.6 Selectivity index, ratio of EC50 for human MRC5 cells to EC50 for Trypanosoma brucei brucei Squib 427 CHEMBL4422651
MRC5 EC50 = 2230.0 nM Cytotoxicity against human MRC5 cells assessed as reduction in cell viability after 3 days by resazurin dye-based assay CHEMBL4422651
Unchecked Ratio EC50 Selectivity index, ratio of EC50 for human MRC5 cells to EC50 for Trypanosoma brucei rhodesiense STIB-900 CHEMBL4422651
Trypanosoma brucei EC50 = 150.0 nM Antitrypanosomal activity against wild type Trypanosoma brucei Lister 427 after 48 hrs by alamar blue assay CHEMBL4422651
Trypanosoma brucei EC50 = 2610.0 nM Antitrypanosomal activity against Trypanosoma brucei TbAT1-KO after 48 hrs by alamar blue assay CHEMBL4422651
Trypanosoma brucei EC50 = 4300.0 nM Antitrypanosomal activity against pentamidine/diminazene/melaminophenyl arsenical resistant Trypanosoma brucei B48 after 48 hrs by alamar blue assay CHEMBL4422651
Trypanosoma brucei EC50 = 1700.0 nM Antitrypanosomal activity against isometamidium resistant Trypanosoma brucei ISMR1 after 48 hrs by alamar blue assay CHEMBL4422651
Trypanosoma brucei Ratio EC50 = 17.2 Resistance factor, ratio of EC50 for Trypanosoma brucei TbAT1-KO to EC50 for wild type Trypanosoma brucei Lister 427 CHEMBL4422651
Trypanosoma brucei Ratio EC50 = 28.7 Resistance factor, ratio of EC50 for pentamidine/diminazene/melaminophenyl arsenical resistant Trypanosoma brucei B48 to EC50 for wild type Trypanosoma brucei Lister 427 CHEMBL4422651
Trypanosoma brucei Ratio EC50 = 11.1 Resistance factor, ratio of EC50 for isometamidium resistant Trypanosoma brucei B48 to EC50 for wild type Trypanosoma brucei Lister 427 CHEMBL4422651
Trypanosoma cruzi EC50 = 340.0 nM Antitrypanosomal activity against nifurtimox-sensitive Trypanosoma cruzi Tulahuen CL2 harboring beta-galactosidase infected in human MRC5 cells after 7 days by resazurin dye-based assay CHEMBL4422651
Unchecked Ratio EC50 = 6.5 Selectivity index, ratio of EC50 for human MRC5 cells to EC50 for nifurtimox-sensitive Trypanosoma cruzi Tulahuen CL2 harboring beta-galactosidase CHEMBL4422651
Unchecked Ki = 78000.0 nM Inhibition of [3H]-adenosine transport at Trypanosoma brucei Adenosine transporter P1 expressed in pentamidine/diminazene/melaminophenyl arsenical resistant Trypanosoma brucei B48 bloodstream forms after 60 secs by scintillation counting analysis CHEMBL4422651
Unchecked Ki = 3800.0 nM Inhibition of [3H]-adenosine transport at Trypanosoma brucei Adenosine transporter P2 expressed in pentamidine/diminazene/melaminophenyl arsenical resistant Trypanosoma brucei B48 bloodstream forms after 60 secs by scintillation counting analysis CHEMBL4422651
Peritoneal macrophage cells Activity Cytotoxicity against Swiss mouse primary peritoneal macrophages assessed as reduction in cell viability after 5 days CHEMBL4422651
Leishmania infantum EC50 = 130.0 nM Antileishmanial activity against Leishmania infantum amastigotes infected in Swiss mouse primary peritoneal macrophages assessed as reduction in parasite burden after 5 days by Giemsa staining-based microscopic analysis CHEMBL4422651
Trypanosoma congolense EC50 Antitrypanosomal activity against Trypanosoma congolense by resazurin assay CHEMBL4422651
Histone-lysine N-methyltransferase, H3 lysine-79 specific Inhibition = 41.0 % Inhibition of DOT1L (unknown origin) at 200 uM using chicken nucleosome as substrate in presence of [3H]SAM incubated for 1 hr by TopCount method CHEMBL4477246
SARS-CoV-2 IC50 > 20000.0 nM Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging CHEMBL4651402
SARS-CoV-2 IC50 < 19952.62 nM Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging CHEMBL4651402
Unchecked Ki = 78000.0 nM Inhibition of Trypanosoma brucei P1 transporter assessed as reduction in [3H]-adenosine uptake by scintillation counting method CHEMBL4680158
Unchecked Ki = 3800.0 nM Inhibition of Trypanosoma brucei P2 transporter assessed as reduction in [3H]-adenosine uptake by scintillation counting method CHEMBL4680158
A549 IC50 = 44.0 nM Cytotoxicity against human A549 cells assessed as cell growth inhibition CHEMBL4699613
HCT-116 IC50 = 82.0 nM Cytotoxicity against human HCT-116 cells assessed as cell growth inhibition CHEMBL4699613
A-375 IC50 = 43.0 nM Cytotoxicity against human A-375 cells assessed as cell growth inhibition CHEMBL4699613
SK-OV-3 IC50 = 131.0 nM Cytotoxicity against human SK-OV-3 cells assessed as cell growth inhibition CHEMBL4699613
PC-3 IC50 = 76.0 nM Cytotoxicity against human PC-3 cells assessed as cell growth inhibition CHEMBL4699613
DU-145 IC50 = 256.0 nM Cytotoxicity against human DU-145 cells assessed as cell growth inhibition CHEMBL4699613
T47D IC50 = 13.0 nM Cytotoxicity against human T47D cells assessed as cell growth inhibition CHEMBL4699613
HFF IC50 = 790.0 nM Cytotoxicity against human HFF cells assessed as cell growth inhibition CHEMBL4699613
Trypanosoma brucei rhodesiense EC50 = 36.0 nM Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 measured after 6 hrs by alamar blue dye based fluorimetry analysis CHEMBL4811241
Trypanosoma brucei rhodesiense EC50 = 36.0 nM Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 incubated for 48 hrs by resazurin dye based fluorescence assay CHEMBL4813968
MRC5 CC50 = 2230.0 nM Cytotoxicity against human MRC5 fibroblast cells assessed as reduction in cell viability measured after 3 days by fluorometry CHEMBL5131491
Trypanosoma cruzi EC50 = 340.0 nM Antitrypanosomal activity against intracellular Trypanosoma cruzi Tulahuen amastigotes expressing CL2 beta-galactosidase in human MRC5 cells assessed as parasite growth inhibition using chlorophenol red beta-D-galactopyranoside as substrate treated for 7 days by spectrophotometry CHEMBL5131491
ADMET Selectivity Index = 6.6 Selectivity index, ratio of CC50 for human MRC-5 cells to EC50 for antitrypanosomal activity against intracellular Trypanosoma cruzi Tulahuen amastigotes expressing CL2 beta-galactosidase in human MRC5 cells CHEMBL5131491
Leishmania infantum EC50 = 130.0 nM Antileishmanial activity against intracellular Leishmania infantum MHOM/MA(BE)/67 amastigotes infected in Swiss mouse peritoneal macrophages assessed as parasite growth inhibition incubated for 5 days by giemsa staining based microscopic analysis CHEMBL5131491
Macrophages CC50 = 130.0 nM Cytotoxicity against Swiss mouse peritoneal macrophages assessed as reduction in cell viability measured after 5 days by microscopic analysis CHEMBL5131491
ADMET Selectivity Index = 1.0 Selectivity index, ratio of CC50 for Swiss mouse peritoneal macrophages to EC50 for antileishmanial activity against intracellular Leishmania infantum MHOM/MA(BE)/67 amastigotes infected in Swiss mouse peritoneal macrophages CHEMBL5131491