| ADMET |
EC50 |
= |
380.0 |
nM |
Antiviral activity against HIV in human peripheral blood mononuclear cells (PBMC) |
CHEMBL1129120 |
| ADMET |
IC50 |
= |
59000.0 |
nM |
Concentration required to inhibit 50% of human peripheral blood mononuclear cells |
CHEMBL1129120 |
| CCRF-CEM |
EC50 |
= |
540.0 |
nM |
Antiviral activity against HIV in CEM cell line |
CHEMBL1129120 |
| CCRF-CEM |
IC50 |
= |
37000.0 |
nM |
Concentration required to inhibit 50% of CEM cell lines |
CHEMBL1129120 |
| HepG2 |
EC50 |
= |
1200.0 |
nM |
Antiviral activity against Hepatitis B virus in 2.2.15 cell line |
CHEMBL1129120 |
| HepG2 |
IC50 |
= |
70000.0 |
nM |
Concentration required to inhibit 50% of 2.2.15 cell line |
CHEMBL1129120 |
| ADMET |
T1/2 |
|
|
hr |
Hydrolysis half life in phosphate buffer at the specified pH of 7.3; Not available |
CHEMBL1132195 |
| ADMET |
T1/2 |
= |
0.01 |
hr |
Hydrolysis half life in glycine/HCl buffer at the specified pH of 3.0 |
CHEMBL1132195 |
| ADMET |
T1/2 |
< |
0.01 |
hr |
Hydrolysis half life in glycine/HCl buffer at the specified pH of 1.5 |
CHEMBL1132195 |
| No relevant target |
LogP |
= |
-0.49 |
|
Partition coefficient (logP) |
CHEMBL1132195 |
| Human immunodeficiency virus 1 |
EC50 |
= |
30000.0 |
nM |
In vitro inhibition of HIV-1 replication in human T-lymphocytic cells (CEM). |
CHEMBL1132195 |
| Human immunodeficiency virus 2 |
EC50 |
= |
50000.0 |
nM |
In vitro inhibition of HIV-2 replication in human T-lymphocytic cells (CEM). |
CHEMBL1132195 |
| C3H/3T3 |
EC50 |
= |
35000.0 |
nM |
Effect of compound against Moloney murine sarcoma virus (MSV)-induced transformation of C3H/3T3 embryo murine fibroblasts |
CHEMBL1132195 |
| CCRF-CEM |
CC50 |
= |
96000.0 |
nM |
In vitro cytotoxic concentration in CEM cells. |
CHEMBL1132195 |
| C3H/3T3 |
MCC |
> |
50000.0 |
nM |
Minimal cytotoxic concentration required to cause morphological alteration of C3H/3T3 fibroblast culture cells |
CHEMBL1132195 |
| Unchecked |
SI |
= |
3.0 |
|
Selectivity index by CC50 of CEM cells/EC50 of CEM cells against HIV-1 |
CHEMBL1132195 |
| No relevant target |
P |
= |
0.44 |
|
Partition coefficient in 1-octanol and 10 mM aqueous potassium phosphate buffer at pH 7.4 |
CHEMBL1124551 |
| ATH-8 cell line |
ED50 |
= |
40.0 |
uM |
Protection of ATH8 cells against the cytopathic effect of HIV. |
CHEMBL1123791 |
| ATH-8 cell line |
ID50 |
= |
52.0 |
uM |
Required dose to reduce viability of normal uninfected ATH8 cells. |
CHEMBL1123791 |
| MT4 |
Toxicity |
> |
90.0 |
% |
Toxicity was determined by evaluation of cluster morphology and reclustering properties in mock infected MT-4 cells at 125 uM concentration |
CHEMBL1123791 |
| MT4 |
Protection |
< |
10.0 |
% |
Protection was determined by evaluation of cluster morphology and reclustering properties in mock infected MT-4 cells at 125 uM concentration |
CHEMBL1123791 |
| MT4 |
Toxicity |
< |
10.0 |
% |
Toxicity was determined by evaluation of cluster morphology and reclustering properties in mock infected MT-4 cells at 5 uM concentration |
CHEMBL1123791 |
| MT4 |
Protection |
< |
10.0 |
% |
Protection was determined by evaluation of cluster morphology and reclustering properties in mock infected MT-4 cells at 5 uM concentration. |
CHEMBL1123791 |
| MT4 |
Toxicity |
< |
10.0 |
% |
Toxicity was determined by evaluation of cluster morphology and reclustering properties in mock infected MT-4 cells at 0.2 uM concentration |
CHEMBL1123791 |
| MT4 |
Protection |
< |
10.0 |
% |
Protection was determined by evaluation of cluster morphology and reclustering properties in mock infected MT-4 cells at 0.2 uM concentration |
CHEMBL1123791 |
| MT4 |
Toxicity |
< |
10.0 |
% |
Toxicity was determined by evaluation of cluster morphology and reclustering properties in mock infected MT-4 cells at 0.008 uM concentration |
CHEMBL1123791 |
| MT4 |
Toxicity |
< |
10.0 |
% |
Toxicity was determined by evaluation of cluster morphology and reclustering properties in mock infected MT-4 cells at 0.00032 uM concentration |
CHEMBL1123791 |
| ADMET |
Ratio |
= |
1.3 |
|
Therapeutic index (Ratio = ID50/ED50). |
CHEMBL1123791 |
| No relevant target |
LogD |
= |
-0.36 |
|
Compound was evaluated for its lipophilicity by 1-octanol/water (phosphate buffer, pH 7.0) and the partition coefficient (log P) was reported. |
CHEMBL1131960 |
| ADMET |
T1/2 |
|
|
hr |
Compound was evaluated for esterase half-life (t 1/2) period using Pig Liver Esterase (PLE) assay; ND is not determined |
CHEMBL1131960 |
| CCRF-CEM |
EC50 |
= |
20000.0 |
nM |
Compound was evaluated for its effective concentration (potency) to inhibit the growth of HIV-1 in CEM cell culture. |
CHEMBL1131960 |
| CCRF-CEM |
EC50 |
= |
20000.0 |
nM |
Compound was evaluated for its effective concentration (potency) to inhibit the growth of HIV-2 in CEM cell culture. |
CHEMBL1131960 |
| CCRF-CEM |
CC50 |
= |
91000.0 |
nM |
Compound was evaluated for its concentration (potency) to inhibit the growth of CEM cells. |
CHEMBL1131960 |
| Unchecked |
SI |
= |
4.6 |
|
Compound was evaluated for its ability to inhibit the growth of HIV-1 in CEM cell culture (CC50/EC50) |
CHEMBL1131960 |
| Unchecked |
SI |
= |
4.6 |
|
Compound was evaluated for its ability to inhibit the growth of HIV-2 in CEM cell culture (CC50/EC50) |
CHEMBL1131960 |
| MT4 |
CD50 |
= |
34.0 |
uM |
Cytotoxicity was determined as the dose required to reduce the viability of uninfected MT-4 cells by 50% |
CHEMBL1123895 |
| MT4 |
ED50 |
> |
25.0 |
uM |
Anti-HIV activity was determined as dose required to protect 50% of the HIV-infected MT-4 cells against destruction |
CHEMBL1123895 |
| Unchecked |
Ratio |
< |
1.2 |
|
Selectivity ratio CD50 to ED50 |
CHEMBL1123895 |
| Adenosine kinase |
Km |
|
|
nM |
Inhibitory activity against bovine liver adenosine Kinase; NS, NI/Ino=nonsubstrate, noninhibitor/inhibitor |
CHEMBL1130251 |
| Deoxycytidine kinase |
Km |
= |
620000.0 |
nM |
Inhibitory activity against human deoxycytidine kinase |
CHEMBL1130251 |
| Adenosine deaminase |
Inhibition |
|
|
% |
Inhibitory activity against bovine adenosine deaminase; very weak substrate or inhibitor |
CHEMBL1130251 |
| Unchecked |
Km |
|
|
nM |
Inhibitory activity against purine nucleoside phosphorylases from human blood and calf spleen; NS, NI/Ino=nonsubstrate, noninhibitor/inhibitor |
CHEMBL1130251 |
| ADMET |
T1/2 |
= |
74.4 |
hr |
Half life of the compound |
CHEMBL1130251 |
| Adenosine deaminase |
Km |
= |
30000.0 |
nM |
Menten constant against adenosine deaminase (ADA) |
CHEMBL1148339 |
| Adenosine deaminase |
k cat |
|
|
|
Kcat value against adenosine deaminase (ADA); Not available |
CHEMBL1148339 |
| Adenosine deaminase |
k cat/Km |
|
|
|
Kcat/KM of compound against adenosine deaminase (ADA) was determined; Not available |
CHEMBL1148339 |
| ADMET |
T1/2 |
= |
74.4 |
hr |
Ability to get deaminated by adenosine deaminase (ADA); Expressed as t1/2 |
CHEMBL1148339 |
| CCRF-CEM |
EC50 |
= |
20000.0 |
nM |
Compound was evaluated for antiviral activity against HIV-1 (IIIB) infected CEM cells. |
CHEMBL1129180 |
| CCRF-CEM |
EC50 |
= |
20000.0 |
nM |
Compound was evaluated for antiviral activity against HIV-2 (ROD) infected CEM cells. |
CHEMBL1129180 |
| CCRF-CEM |
CC50 |
= |
91000.0 |
nM |
Compound was evaluated for cytotoxic activity against CEM cells. |
CHEMBL1129180 |
| Unchecked |
Selectivity index |
= |
4.5 |
|
Ratio of CC50/EC50 was calculated |
CHEMBL1129180 |
| NON-PROTEIN TARGET |
MIC |
= |
31000.0 |
nM |
Compound was evaluated minimum inhibitory concentration against moloney sarcoma virus (MSV) infected C3H cell cultures. |
CHEMBL1129180 |
| NON-PROTEIN TARGET |
CC50 |
> |
100000.0 |
nM |
Compound was evaluated cytotoxicity against moloney sarcoma virus (MSV) infected C3H cell cultures. |
CHEMBL1129180 |
| Human immunodeficiency virus type 2 (ISOLATE ROD) |
IC50 |
>= |
81900.0 |
nM |
Antiviral activity against HIV-2 ROD infected in thymidine kinase-deficient human CEM cells |
CHEMBL3112419 |
| ADMET |
CC50 |
= |
360300.0 |
nM |
Cytotoxicity against human CEM/0 cells |
CHEMBL3112419 |
| Human immunodeficiency virus type 2 (ISOLATE ROD) |
IC50 |
>= |
36600.0 |
nM |
Antiviral activity against HIV-2 ROD infected in human CEM/0 cells |
CHEMBL3112419 |
| MT4 |
CC50 |
= |
277500.0 |
nM |
Cytotoxicity against human MT4 cells |
CHEMBL3112419 |
| Human immunodeficiency virus type 2 (ISOLATE ROD) |
IC50 |
> |
277500.0 |
nM |
Antiviral activity against HIV-2 ROD infected in human MT4 cells |
CHEMBL3112419 |
| Human immunodeficiency virus 1 |
IC50 |
> |
277500.0 |
nM |
Antiviral activity against HIV-1 3B infected in human MT4 cells |
CHEMBL3112419 |
