Compound Detail

CHEMBL1980671

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Nc1ncnc2c1C(=O)Nc1ccccc1N2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1980671
Phase	Preclinical
Structure Type	MOL
InChI Key	NKZVCOXZDFTYPG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

227.2

MW (Da)

1.37

ALogP

HBA

HBD

92.9

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C11H9N5O
MW	227.23
Aromatic Rings	2
Heavy Atoms	17
NP-Likeness	-0.11

Activity Summary

Ki 41 meas. best 7.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosine-protein kinase receptor TYRO3 CHEMBL5314	Ki	7.0	7.0	100.0	1
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	6.7	6.7	199.5	1
Activin receptor type-1 CHEMBL5903	Ki	6.3	6.3	501.2	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	6.0	6.0	1000.0	1
Cyclin-dependent kinase 5 CHEMBL4036	Ki	5.9	5.9	1258.9	1
Activated CDC42 kinase 1 CHEMBL4599	Ki	5.8	5.8	1584.9	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Ki	5.7	5.7	1995.3	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	5.6	5.6	2511.9	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Ki	5.6	5.6	2511.9	1
Glycogen synthase kinase-3 alpha CHEMBL2850	Ki	5.6	5.6	2511.9	1
Cyclin-dependent kinase 9 CHEMBL3116	Ki	5.4	5.4	3981.1	1
Leukocyte tyrosine kinase receptor CHEMBL5627	Ki	5.4	5.4	3981.1	1
Hepatocyte growth factor receptor CHEMBL3717	Ki	5.4	5.4	3981.1	1
Tyrosine-protein kinase Lck CHEMBL258	Ki	5.4	5.4	3981.1	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	5.3	5.3	5011.9	1
Mitogen-activated protein kinase 8 CHEMBL2276	Ki	5.3	5.3	5011.9	1
Platelet-derived growth factor receptor beta CHEMBL1913	Ki	5.2	5.2	6309.6	1
Casein kinase I isoform alpha CHEMBL2793	Ki	5.1	5.1	7943.3	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	5.1	5.1	7943.3	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	5.1	5.1	7943.3	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Ki	5.0	5.0	10000.0	1
ALK tyrosine kinase receptor CHEMBL4247	Ki	5.0	5.0	10000.0	1
Focal adhesion kinase 1 CHEMBL2695	Ki	4.8	4.8	15848.9	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	4.8	4.8	15848.9	1
Death-associated protein kinase 3 CHEMBL2468	Ki	4.8	4.8	15848.9	1
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Ki	4.6	4.6	25118.9	1
cAMP-dependent protein kinase catalytic subunit PRKX CHEMBL5818	Ki	4.6	4.6	25118.9	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	4.6	4.6	25118.9	1
Serine/threonine-protein kinase TAO1 CHEMBL5261	Ki	4.6	4.6	25118.9	1
Macrophage-stimulating protein receptor CHEMBL2689	Ki	4.5	4.5	31622.8	1
Cyclin-dependent kinase 7 CHEMBL3055	Ki	4.5	4.5	31622.8	1
Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587	Ki	4.5	4.5	31622.8	1
Mitogen-activated protein kinase 9 CHEMBL4179	Ki	4.5	4.5	31622.8	1
Platelet-derived growth factor receptor alpha CHEMBL2007	Ki	4.4	4.4	39810.7	1
Dual specificity mitogen-activated protein kinase kinase 2 CHEMBL2964	Ki	4.4	4.4	39810.7	1
Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL4147	Ki	4.4	4.4	39810.7	1
Tyrosine-protein kinase BTK CHEMBL5251	Ki	4.3	4.3	50118.7	1
Serine/threonine-protein kinase pim-1 CHEMBL2147	Ki	4.2	4.2	63095.7	1
Serine/threonine-protein kinase PAK 4 CHEMBL4482	Ki	4.2	4.2	63095.7	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543	Ki	4.2	4.2	63095.7	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Ki	4.0	4.0	100000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosine-protein kinase receptor TYRO3	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity protein kinase CLK4	Ki	=	199.53	nM	6.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Activin receptor type-1	Ki	=	501.19	nM	6.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 2	Ki	=	1000.0	nM	6.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 5	Ki	=	1258.93	nM	5.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Activated CDC42 kinase 1	Ki	=	1584.89	nM	5.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase ABL1	Ki	=	1995.26	nM	5.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Macrophage colony-stimulating factor 1 receptor	Ki	=	2511.89	nM	5.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	Ki	=	2511.89	nM	5.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 alpha	Ki	=	2511.89	nM	5.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase Lck	Ki	=	3981.07	nM	5.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 9	Ki	=	3981.07	nM	5.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Hepatocyte growth factor receptor	Ki	=	3981.07	nM	5.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Leukocyte tyrosine kinase receptor	Ki	=	3981.07	nM	5.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase 8	Ki	=	5011.87	nM	5.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 beta	Ki	=	5011.87	nM	5.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Platelet-derived growth factor receptor beta	Ki	=	6309.57	nM	5.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Casein kinase I isoform alpha	Ki	=	7943.28	nM	5.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase D3	Ki	=	7943.28	nM	5.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 1	Ki	=	7943.28	nM	5.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine