NA-DB

Compound Info

NAs

Base Info

Cluster

Name

Target

MolWt

NAs.001065

Target name	Tax id
Ribosomal protein S6 kinase alpha 3	9606.0
Casein kinase I alpha	9606.0
Rho-associated protein kinase 1	9606.0
Activin receptor type-1	9606.0
MAP kinase p38 alpha	9606.0
Serine/threonine-protein kinase Aurora-B	9606.0
Dual specificity mitogen-activated protein kinase kinase 1	9606.0
G protein-coupled receptor kinase 5	9606.0
Cell division protein kinase 8	9606.0
Protein kinase C nu	9606.0
c-Jun N-terminal kinase 2	9606.0
Tyrosine-protein kinase ABL	9606.0
Tyrosine-protein kinase receptor TYRO3	9606.0
Tyrosine-protein kinase JAK2	9606.0
Fibroblast growth factor receptor 1	9606.0
Tyrosine-protein kinase receptor RET	9606.0
Serine/threonine-protein kinase Aurora-A	9606.0
Tyrosine-protein kinase JAK3	9606.0
Vascular endothelial growth factor receptor 2	9606.0
AMP-activated protein kinase	9606.0
alpha-1 subunit	9606.0
Dual specificity protein kinase CLK2	9606.0
Cyclin-dependent kinase 7	9606.0
Death-associated protein kinase 3	9606.0
Glycogen synthase kinase-3 alpha	9606.0
Dual specificity mitogen-activated protein kinase kinase 2	9606.0
ALK tyrosine kinase receptor	9606.0
Platelet-derived growth factor receptor beta	9606.0
Mitogen-activated protein kinase kinase kinase kinase 2	9606.0
Protein kinase C theta	9606.0
Tyrosine-protein kinase LCK	9606.0
Glycogen synthase kinase-3 beta	9606.0
CaM kinase I delta	9606.0
Serine/threonine-protein kinase PAK 4	9606.0
Dual specificity protein kinase CLK4	9606.0
Tyrosine-protein kinase BTK	9606.0
Macrophage colony stimulating factor receptor	9606.0
Dual-specificity tyrosine-phosphorylation regulated kinase 1A	9606.0
Leukocyte tyrosine kinase receptor	9606.0
Focal adhesion kinase 1	9606.0
Serine/threonine-protein kinase TBK1	9606.0
Vascular endothelial growth factor receptor 1	9606.0
Dual specificity tyrosine-phosphorylation-regulated kinase 1B	9606.0
Tyrosine kinase non-receptor protein 2	9606.0
Cyclin-dependent kinase 5	9606.0
c-Jun N-terminal kinase 1	9606.0
Mitogen-activated protein kinase kinase kinase kinase 4	9606.0
Macrophage-stimulating protein receptor	9606.0
cAMP-dependent protein kinase alpha-catalytic subunit	9606.0
Inhibitor of nuclear factor kappa B kinase epsilon subunit	9606.0
Cyclin-dependent kinase 9	9606.0
Leucine-rich repeat serine/threonine-protein kinase 2	9606.0

243.245

Chemical Representations
InChI	InChI=1S/C12H10FN5/c13-9-3-1-2-8(4-9)5-14-11-10-12(16-6-15-10)18-7-17-11/h1-4,6-7H,5H2,(H2,14,15,16,17,18)
InChI Key	YCDLTWDQNHQKPG-UHFFFAOYSA-N
SMILES	Fc1cccc(CNc2ncnc3[nH]cnc23)c1
Molecular Formula	C12H10FN5

Functional Fragments
Base	Ribose	Phosphate
Match	Match

Calculated Properties
logP	2.104	Computed by RDKit
Heavy Atom Count	18	Computed by RDKit
Ring Count	3	Computed by RDKit
Hydrogen Bond Acceptor Count	4	Computed by RDKit
Hydrogen Bond Donor Count	2	Computed by RDKit
Rotatable Bond Count	3	Computed by RDKit
Topological Polar Surface Area	66.490	Computed by RDKit

Activity Data
Target	Activity type	Relation	Value	Unit	Assay	Source
Inhibitor of nuclear factor kappa B kinase epsilon subunit	Ki	=	100000.0	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IKBKE	CHEMBL1201862
Dual specificity protein kinase CLK2	Ki	=	25118.86	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK2	CHEMBL1201862
Macrophage-stimulating protein receptor	Ki	=	31622.78	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MST1R	CHEMBL1201862
Dual specificity mitogen-activated protein kinase kinase 1	Ki	=	10000.0	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP2K1	CHEMBL1201862
Serine/threonine-protein kinase TBK1	Ki	=	63095.73	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TBK1	CHEMBL1201862
ALK tyrosine kinase receptor	Ki	=	63095.73	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ALK	CHEMBL1201862
Protein kinase C theta	Ki	=	50118.72	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCQ	CHEMBL1201862
Tyrosine-protein kinase JAK2	Ki	=	31622.78	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: JAK2	CHEMBL1201862
Macrophage colony stimulating factor receptor	Ki	=	31622.78	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSF1R	CHEMBL1201862
Leukocyte tyrosine kinase receptor	Ki	=	15848.93	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LTK	CHEMBL1201862
Tyrosine-protein kinase receptor RET	Ki	=	12589.25	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RET	CHEMBL1201862
AMP-activated protein kinase, alpha-1 subunit	Ki	=	15848.93	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKAA1	CHEMBL1201862
Dual specificity mitogen-activated protein kinase kinase 2	Ki	=	39810.72	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP2K2	CHEMBL1201862
MAP kinase p38 alpha	Ki	=	15848.93	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK14	CHEMBL1201862
Dual-specificity tyrosine-phosphorylation regulated kinase 1A	Ki	=	39810.72	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK1A	CHEMBL1201862
Ribosomal protein S6 kinase alpha 3	Ki	=	39810.72	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KA3	CHEMBL1201862
Mitogen-activated protein kinase kinase kinase kinase 4	Ki	=	79432.82	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K4	CHEMBL1201862
Vascular endothelial growth factor receptor 2	Ki	=	25118.86	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KDR	CHEMBL1201862
Dual specificity tyrosine-phosphorylation-regulated kinase 1B	Ki	=	12589.25	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK1B	CHEMBL1201862
Leucine-rich repeat serine/threonine-protein kinase 2	Ki	=	1995.26	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LRRK2	CHEMBL1201862
Serine/threonine-protein kinase Aurora-B	Ki	=	15848.93	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK12	CHEMBL1201862
Tyrosine kinase non-receptor protein 2	Ki	=	25118.86	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ACK1	CHEMBL1201862
Serine/threonine-protein kinase Aurora-A	Ki	=	39810.72	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK6	CHEMBL1201862
G protein-coupled receptor kinase 5	Ki	=	31622.78	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GPRK5	CHEMBL1201862
Tyrosine-protein kinase LCK	Ki	=	79432.82	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LCK	CHEMBL1201862
Platelet-derived growth factor receptor beta	Ki	=	12589.25	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PDGFRB	CHEMBL1201862
Glycogen synthase kinase-3 alpha	Ki	=	50118.72	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3A	CHEMBL1201862
Cyclin-dependent kinase 5	Ki	=	5011.87	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK5	CHEMBL1201862
Focal adhesion kinase 1	Ki	=	79432.82	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK2	CHEMBL1201862
Fibroblast growth factor receptor 1	Ki	=	25118.86	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR1	CHEMBL1201862
c-Jun N-terminal kinase 2	Ki	=	50118.72	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK9	CHEMBL1201862
Tyrosine-protein kinase ABL	Ki	=	50118.72	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ABL1	CHEMBL1201862
Tyrosine-protein kinase receptor TYRO3	Ki	=	63095.73	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TYRO3	CHEMBL1201862
Death-associated protein kinase 3	Ki	=	31622.78	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DAPK3	CHEMBL1201862
Serine/threonine-protein kinase PAK 4	Ki	=	19952.62	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PAK4	CHEMBL1201862
Mitogen-activated protein kinase kinase kinase kinase 2	Ki	=	79432.82	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K2	CHEMBL1201862
c-Jun N-terminal kinase 1	Ki	=	15848.93	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK8	CHEMBL1201862
Casein kinase I alpha	Ki	=	10000.0	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1A1	CHEMBL1201862
Protein kinase C nu	Ki	=	63095.73	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCN	CHEMBL1201862
Activin receptor type-1	Ki	=	39810.72	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ACVR1	CHEMBL1201862
Tyrosine-protein kinase JAK3	Ki	=	63095.73	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: JAK3	CHEMBL1201862
Tyrosine-protein kinase BTK	Ki	=	63095.73	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: BTK	CHEMBL1201862
Cell division protein kinase 8	Ki	=	12589.25	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK8	CHEMBL1201862
Glycogen synthase kinase-3 beta	Ki	=	50118.72	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3B	CHEMBL1201862
Cyclin-dependent kinase 7	Ki	=	31622.78	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK7	CHEMBL1201862
cAMP-dependent protein kinase alpha-catalytic subunit	Ki	=	10000.0	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKACA	CHEMBL1201862
Rho-associated protein kinase 1	Ki	=	5011.87	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK1	CHEMBL1201862
Cyclin-dependent kinase 9	Ki	<	63095.73	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK9	CHEMBL1201862
Vascular endothelial growth factor receptor 1	Ki	=	79432.82	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT1	CHEMBL1201862
Dual specificity protein kinase CLK4	Ki	=	1584.89	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK4	CHEMBL1201862
CaM kinase I delta	Ki	=	39810.72	nM	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1D	CHEMBL1201862