Compound Detail

CHEMBL1975418

Enter ChEMBL ID:

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

c1ccc(Cn2nnc(-c3ccc4[nH]ncc4c3)c2C2CC2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1975418
Phase	Preclinical
Structure Type	MOL
InChI Key	JXMYIDZREHNPDO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

315.4

MW (Da)

3.75

ALogP

HBA

HBD

59.4

PSA (Å²)

0.62

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C19H17N5
MW	315.38
Aromatic Rings	4
Heavy Atoms	24
NP-Likeness	-1.74

Activity Summary

Ki 37 meas. best 8.6

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Rho-associated protein kinase 2 CHEMBL2973	Ki	8.6	8.6	2.5	1
Glycogen synthase kinase-3 alpha CHEMBL2850	Ki	7.8	7.8	15.8	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	7.7	7.7	19.9	1
Death-associated protein kinase 3 CHEMBL2468	Ki	7.5	7.5	31.6	1
Cyclin-dependent kinase 2 CHEMBL301	Ki	7.5	7.5	31.6	1
Cyclin-dependent kinase 1 CHEMBL308	Ki	7.4	7.4	39.8	1
Aurora kinase A CHEMBL4722	Ki	7.2	7.2	63.1	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Ki	7.2	7.2	63.1	1
Mitogen-activated protein kinase 1 CHEMBL4040	Ki	6.9	6.9	125.9	1
Aurora kinase B CHEMBL2185	Ki	6.7	6.7	199.5	1
Serine/threonine-protein kinase MRCK alpha CHEMBL4516	Ki	6.6	6.6	251.2	1
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Ki	6.6	6.6	251.2	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	6.5	6.5	316.2	1
Cyclin-dependent kinase 5 CHEMBL4036	Ki	6.5	6.5	316.2	1
Protein kinase C delta type CHEMBL2996	Ki	6.5	6.5	316.2	1
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Ki	6.3	6.3	501.2	1
Tyrosine-protein kinase JAK2 CHEMBL2971	Ki	6.2	6.2	631.0	1
5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045	Ki	6.1	6.1	794.3	1
Inhibitor of nuclear factor kappa-B kinase subunit alpha CHEMBL3476	Ki	6.0	6.0	1000.0	1
Casein kinase II subunit alpha CHEMBL3629	Ki	5.8	5.8	1584.9	1
MAP kinase-activated protein kinase 2 CHEMBL2208	Ki	5.8	5.8	1584.9	1
Mitogen-activated protein kinase 9 CHEMBL4179	Ki	5.8	5.8	1584.9	1
RAC-alpha serine/threonine-protein kinase CHEMBL4282	Ki	5.8	5.8	1584.9	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	5.7	5.7	1995.3	1
Casein kinase I isoform delta CHEMBL2828	Ki	5.7	5.7	1995.3	1
LIM domain kinase 1 CHEMBL3836	Ki	5.7	5.7	1995.3	1
Serine/threonine-protein kinase pim-1 CHEMBL2147	Ki	5.7	5.7	1995.3	1
Serine/threonine-protein kinase Chk2 CHEMBL2527	Ki	5.7	5.7	1995.3	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	5.6	5.6	2511.9	1
RAC-gamma serine/threonine-protein kinase CHEMBL4816	Ki	5.6	5.6	2511.9	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	5.4	5.4	3981.1	1
Mitogen-activated protein kinase 13 CHEMBL2939	Ki	5.4	5.4	3981.1	1
RAC-beta serine/threonine-protein kinase CHEMBL2431	Ki	5.3	5.3	5011.9	1
Serine/threonine-protein kinase 3 CHEMBL4708	Ki	5.3	5.3	5011.9	1
Mitogen-activated protein kinase 12 CHEMBL4674	Ki	5.2	5.2	6309.6	1
Protein kinase C gamma type CHEMBL2938	Ki	5.2	5.2	6309.6	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	5.1	5.1	7943.3	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Rho-associated protein kinase 2	Ki	=	2.512	nM	8.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 alpha	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 1	Ki	=	19.95	nM	7.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 2	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Death-associated protein kinase 3	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 1	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase A	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase 1	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase B	Ki	=	199.53	nM	6.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase MRCK alpha	Ki	=	251.19	nM	6.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Ribosomal protein S6 kinase alpha-3	Ki	=	251.19	nM	6.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Protein kinase C delta type	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 5	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cAMP-dependent protein kinase catalytic subunit alpha	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
MAP/microtubule affinity-regulating kinase 3	Ki	=	501.19	nM	6.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase JAK2	Ki	=	630.96	nM	6.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
5'-AMP-activated protein kinase catalytic subunit alpha-1	Ki	=	794.33	nM	6.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Inhibitor of nuclear factor kappa-B kinase subunit alpha	Ki	=	1000.0	nM	6.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase 9	Ki	=	1584.89	nM	5.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine