Compound Detail

CHEMBL2002346

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

c1ccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2002346
Phase	Preclinical
Structure Type	MOL
InChI Key	FMPKTXNCNJCHCC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

301.4

MW (Da)

3.63

ALogP

HBA

HBD

66.5

PSA (Å²)

0.60

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C18H15N5
MW	301.35
Aromatic Rings	4
Heavy Atoms	23
NP-Likeness	-1.16

Activity Summary

Ki 29 meas. best 8.5

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cell division cycle 7-related protein kinase CHEMBL5443	Ki	8.5	8.5	3.2	1
Rho-associated protein kinase 2 CHEMBL2973	Ki	8.4	8.4	4.0	1
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	8.3	8.3	5.0	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	8.1	8.1	7.9	1
Cyclin-dependent kinase 2 CHEMBL301	Ki	7.8	7.8	15.8	1
Tyrosine-protein kinase JAK3 CHEMBL2148	Ki	7.5	7.5	31.6	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	7.2	7.2	63.1	1
Tyrosine-protein kinase JAK2 CHEMBL2971	Ki	7.2	7.2	63.1	1
Homeodomain-interacting protein kinase 2 CHEMBL4576	Ki	7.0	7.0	100.0	1
Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553	Ki	7.0	7.0	100.0	1
Serine/threonine-protein kinase pim-1 CHEMBL2147	Ki	7.0	7.0	100.0	1
Serine/threonine-protein kinase Chk1 CHEMBL4630	Ki	6.8	6.8	158.5	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Ki	6.7	6.7	199.5	1
Serine/threonine-protein kinase pim-3 CHEMBL5407	Ki	6.6	6.6	251.2	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	6.6	6.6	251.2	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	6.5	6.5	316.2	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	6.5	6.5	316.2	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Ki	6.3	6.3	501.2	1
Epidermal growth factor receptor CHEMBL203	Ki	6.2	6.2	631.0	1
Interleukin-1 receptor-associated kinase 4 CHEMBL3778	Ki	6.2	6.2	631.0	1
RAC-gamma serine/threonine-protein kinase CHEMBL4816	Ki	6.1	6.1	794.3	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	6.1	6.1	794.3	1
Protein-tyrosine kinase 6 CHEMBL4601	Ki	6.1	6.1	794.3	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	Ki	6.0	6.0	1000.0	1
RAC-alpha serine/threonine-protein kinase CHEMBL4282	Ki	6.0	6.0	1000.0	1
Serine/threonine-protein kinase PLK1 CHEMBL3024	Ki	5.8	5.8	1584.9	1
Hepatocyte growth factor receptor CHEMBL3717	Ki	5.7	5.7	1995.3	1
Insulin receptor CHEMBL1981	Ki	5.7	5.7	1995.3	1
RAC-beta serine/threonine-protein kinase CHEMBL2431	Ki	5.5	5.5	3162.3	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cell division cycle 7-related protein kinase	Ki	=	3.162	nM	8.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 2	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity protein kinase CLK4	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 beta	Ki	=	7.943	nM	8.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 2	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase JAK3	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase JAK2	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cAMP-dependent protein kinase catalytic subunit alpha	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Non-receptor tyrosine-protein kinase TYK2	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Homeodomain-interacting protein kinase 2	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase pim-1	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase Chk1	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Macrophage colony-stimulating factor 1 receptor	Ki	=	199.53	nM	6.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Receptor-type tyrosine-protein kinase FLT3	Ki	=	251.19	nM	6.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase pim-3	Ki	=	251.19	nM	6.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 2	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase PLK4	Ki	=	501.19	nM	6.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Interleukin-1 receptor-associated kinase 4	Ki	=	630.96	nM	6.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Epidermal growth factor receptor	Ki	=	630.96	nM	6.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine