Compound Detail

CHEMBL1982957

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NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1982957
Phase	Preclinical
Structure Type	MOL
InChI Key	PCQMERRARZKTPW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

313.4

MW (Da)

4.00

ALogP

HBA

HBD

71.8

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	C20H15N3O
MW	313.36
Aromatic Rings	4
Heavy Atoms	24
NP-Likeness	-0.71

Activity Summary

Ki 85 meas. best 7.8

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	7.8	7.8	15.8	1
NT-3 growth factor receptor CHEMBL5608	Ki	7.7	7.7	19.9	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Ki	7.6	7.6	25.1	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	7.5	7.5	31.6	1
STE20-like serine/threonine-protein kinase CHEMBL4202	Ki	7.5	7.5	31.6	1
Tyrosine-protein kinase receptor UFO CHEMBL4895	Ki	7.4	7.4	39.8	1
Dual specificity protein kinase CLK2 CHEMBL4225	Ki	7.4	7.4	39.8	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Ki	7.3	7.3	50.1	1
Calcium/calmodulin-dependent protein kinase type II subunit gamma CHEMBL3829	Ki	7.3	7.3	50.1	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	7.2	7.2	63.1	1
Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801	Ki	7.2	7.2	63.1	1
Rho-associated protein kinase 2 CHEMBL2973	Ki	7.2	7.2	63.1	1
Cyclin-dependent kinase 1 CHEMBL308	Ki	7.2	7.2	63.1	1
Cyclin-dependent kinase 5 CHEMBL4036	Ki	7.2	7.2	63.1	1
Serine/threonine-protein kinase MARK2 CHEMBL3831	Ki	7.1	7.1	79.4	1
Serine/threonine-protein kinase 3 CHEMBL4708	Ki	7.1	7.1	79.4	1
Glycogen synthase kinase-3 alpha CHEMBL2850	Ki	7.1	7.1	79.4	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	7.1	7.1	79.4	1
Tyrosine-protein kinase SYK CHEMBL2599	Ki	7.1	7.1	79.4	1
Testis-specific serine/threonine-protein kinase 1 CHEMBL6003	Ki	7.1	7.1	79.4	1
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Ki	7.0	7.0	100.0	1
Tyrosine-protein kinase Fer CHEMBL3982	Ki	7.0	7.0	100.0	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	6.9	6.9	125.9	1
5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045	Ki	6.9	6.9	125.9	1
Tyrosine-protein kinase JAK3 CHEMBL2148	Ki	6.9	6.9	125.9	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Ki	6.9	6.9	125.9	1
Serine/threonine-protein kinase Sgk2 CHEMBL5794	Ki	6.9	6.9	125.9	1
Tyrosine-protein kinase FRK CHEMBL4223	Ki	6.8	6.8	158.5	1
Tyrosine-protein kinase ITK/TSK CHEMBL2959	Ki	6.8	6.8	158.5	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	6.8	6.8	158.5	1
High affinity nerve growth factor receptor CHEMBL2815	Ki	6.7	6.7	199.5	1
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform CHEMBL2349	Ki	6.7	6.7	199.5	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	6.7	6.7	199.5	1
Fibroblast growth factor receptor 3 CHEMBL2742	Ki	6.7	6.7	199.5	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	6.6	6.6	251.2	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Ki	6.6	6.6	251.2	1
Dual specificity tyrosine-phosphorylation-regulated kinase 4 CHEMBL1075115	Ki	6.6	6.6	251.2	1
Serine/threonine-protein kinase N2 CHEMBL3032	Ki	6.6	6.6	251.2	1
Cyclin-dependent kinase 2 CHEMBL301	Ki	6.5	6.5	316.2	1
Aurora kinase B CHEMBL2185	Ki	6.5	6.5	316.2	1
Aurora kinase A CHEMBL4722	Ki	6.5	6.5	316.2	1
Epidermal growth factor receptor CHEMBL203	Ki	6.4	6.4	398.1	1
Serine/threonine-protein kinase pim-3 CHEMBL5407	Ki	6.4	6.4	398.1	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Ki	6.4	6.4	398.1	1
Mitogen-activated protein kinase 8 CHEMBL2276	Ki	6.4	6.4	398.1	1
Maternal embryonic leucine zipper kinase CHEMBL4578	Ki	6.4	6.4	398.1	1
Tyrosine-protein kinase Fyn CHEMBL1841	Ki	6.4	6.4	398.1	1
Serine/threonine-protein kinase Chk2 CHEMBL2527	Ki	6.4	6.4	398.1	1
Serine/threonine-protein kinase 17A CHEMBL4525	Ki	6.4	6.4	398.1	1
Calcium/calmodulin-dependent protein kinase type II subunit beta CHEMBL4121	Ki	6.4	6.4	398.1	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity protein kinase CLK4	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
NT-3 growth factor receptor	Ki	=	19.95	nM	7.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Receptor-type tyrosine-protein kinase FLT3	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
STE20-like serine/threonine-protein kinase	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase receptor UFO	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity protein kinase CLK2	Ki	=	39.81	nM	7.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Calcium/calmodulin-dependent protein kinase type II subunit gamma	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase ABL1	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 1	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase D3	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 5	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Calcium/calmodulin-dependent protein kinase type II subunit delta	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 2	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase SYK	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase MARK2	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Testis-specific serine/threonine-protein kinase 1	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase D2	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 alpha	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase 3	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine