Compound Detail

CHEMBL340384

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NC(=O)c1cn(-c2ccc(O)cc2Cl)c2cc(-c3ccncc3)ccc2c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL340384
Phase	Preclinical
Structure Type	MOL
InChI Key	CLRFYTGANQZOBS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

391.8

MW (Da)

3.51

ALogP

HBA

HBD

98.2

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C21H14ClN3O3
MW	391.81
Aromatic Rings	4
Heavy Atoms	28
NP-Likeness	-0.58

Activity Summary

Ki 76 meas. best 8.5

IC50 4 meas. best 6.3

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Rho-associated protein kinase 2 CHEMBL2973	Ki	8.5	8.5	3.2	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	7.9	7.9	12.6	1
Protein kinase C delta type CHEMBL2996	Ki	7.8	7.8	15.8	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	7.7	7.7	19.9	1
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	7.7	7.7	19.9	1
Serine/threonine-protein kinase N2 CHEMBL3032	Ki	7.5	7.5	31.6	1
Dual specificity tyrosine-phosphorylation-regulated kinase 3 CHEMBL4575	Ki	7.4	7.4	39.8	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	7.2	7.2	63.1	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	7.1	7.1	79.4	1
Dual specificity protein kinase CLK2 CHEMBL4225	Ki	7.1	7.1	79.4	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Ki	6.9	6.9	125.9	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	6.9	6.9	125.9	1
Glycogen synthase kinase-3 alpha CHEMBL2850	Ki	6.9	6.9	125.9	1
Interleukin-1 receptor-associated kinase 1 CHEMBL3357	Ki	6.8	6.8	158.5	1
cAMP-dependent protein kinase catalytic subunit PRKX CHEMBL5818	Ki	6.8	6.8	158.5	1
cGMP-dependent protein kinase 1 CHEMBL4273	Ki	6.7	6.7	199.5	1
Ribosomal protein S6 kinase alpha-5 CHEMBL4237	Ki	6.7	6.7	199.5	1
Cyclin-dependent kinase 2 CHEMBL301	Ki	6.6	6.6	251.2	1
Serine/threonine-protein kinase MRCK alpha CHEMBL4516	Ki	6.6	6.6	251.2	1
NT-3 growth factor receptor CHEMBL5608	Ki	6.5	6.5	316.2	1
Casein kinase I isoform gamma-2 CHEMBL2543	Ki	6.5	6.5	316.2	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	6.5	6.5	316.2	1
Macrophage colony-stimulating factor 1 receptor CHEMBL1844	Ki	6.4	6.4	398.1	1
cGMP-dependent protein kinase 2 CHEMBL2896	Ki	6.4	6.4	398.1	1
Casein kinase I isoform delta CHEMBL2828	Ki	6.4	6.4	398.1	1
Death-associated protein kinase 3 CHEMBL2468	Ki	6.4	6.4	398.1	1
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Ki	6.4	6.4	398.1	1
Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568	Ki	6.3	6.3	501.2	1
Calpain-1 catalytic subunit CHEMBL3891	IC50	6.3	6.26	500.0	2
LIM domain kinase 1 CHEMBL3836	Ki	6.3	6.3	501.2	1
Protein kinase C gamma type CHEMBL2938	Ki	6.2	6.2	631.0	1
Ribosomal protein S6 kinase beta-1 CHEMBL4501	Ki	6.2	6.2	631.0	1
Casein kinase I isoform gamma-1 CHEMBL2426	Ki	6.2	6.2	631.0	1
Cyclin-dependent kinase 1 CHEMBL308	Ki	6.2	6.2	631.0	1
Cell division cycle 7-related protein kinase CHEMBL5443	Ki	6.2	6.2	631.0	1
Tyrosine-protein kinase FRK CHEMBL4223	Ki	6.1	6.1	794.3	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	6.1	6.1	794.3	1
Interleukin-1 receptor-associated kinase 4 CHEMBL3778	Ki	6.1	6.1	794.3	1
Calcium/calmodulin-dependent protein kinase type II subunit gamma CHEMBL3829	Ki	6.0	6.0	1000.0	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	6.0	6.0	1000.0	1
Serine/threonine-protein kinase TAO1 CHEMBL5261	Ki	6.0	6.0	1000.0	1
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Ki	5.9	5.9	1258.9	1
Hepatocyte growth factor receptor CHEMBL3717	Ki	5.9	5.9	1258.9	1
Maternal embryonic leucine zipper kinase CHEMBL4578	Ki	5.9	5.9	1258.9	1
Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801	Ki	5.9	5.9	1258.9	1
Tyrosine-protein kinase SYK CHEMBL2599	Ki	5.8	5.8	1584.9	1
Tyrosine-protein kinase Fer CHEMBL3982	Ki	5.8	5.8	1584.9	1
Tyrosine-protein kinase Lyn CHEMBL3905	Ki	5.8	5.8	1584.9	1
Serine/threonine-protein kinase 3 CHEMBL4708	Ki	5.7	5.7	1995.3	1
RAC-beta serine/threonine-protein kinase CHEMBL2431	Ki	5.7	5.7	1995.3	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Rho-associated protein kinase 2	Ki	=	3.162	nM	8.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 1	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Protein kinase C delta type	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase D3	Ki	=	19.95	nM	7.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity protein kinase CLK4	Ki	=	19.95	nM	7.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase N2	Ki	=	31.62	nM	7.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 3	Ki	=	39.81	nM	7.4	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...	-
Serine/threonine-protein kinase D2	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity protein kinase CLK2	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 beta	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 alpha	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cAMP-dependent protein kinase catalytic subunit PRKX	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Interleukin-1 receptor-associated kinase 1	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Ribosomal protein S6 kinase alpha-5	Ki	=	199.53	nM	6.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cGMP-dependent protein kinase 1	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...	-
Cyclin-dependent kinase 2	Ki	=	251.19	nM	6.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
NT-3 growth factor receptor	Ki	=	316.23	nM	6.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.1016/0960-894X(95)00041-Q	Calpain-1 catalytic subunit	2
-	10.1016/0960-894X(95)00041-Q	Cathepsin B	1
-	10.1016/0960-894X(95)00041-Q	Procathepsin L	1

Data from ChEMBL 36 via Core Engine