Compound Detail

CHEMBL1982711

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NC(=O)c1ccc(-c2c[nH]c3nccc(Cl)c23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1982711
Phase	Preclinical
Structure Type	MOL
InChI Key	DFMCXVONDDGQIY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

271.7

MW (Da)

2.98

ALogP

HBA

HBD

71.8

PSA (Å²)

0.75

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C14H10ClN3O
MW	271.71
Aromatic Rings	3
Heavy Atoms	19
NP-Likeness	-0.86

Activity Summary

Ki 92 meas. best 8.4

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543	Ki	8.4	8.4	4.0	1
Dual specificity protein kinase CLK2 CHEMBL4225	Ki	8.2	8.2	6.3	1
cGMP-dependent protein kinase 1 CHEMBL4273	Ki	7.9	7.9	12.6	1
Cyclin-dependent kinase 1 CHEMBL308	Ki	7.4	7.4	39.8	1
Homeodomain-interacting protein kinase 2 CHEMBL4576	Ki	7.4	7.4	39.8	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	7.3	7.3	50.1	1
Serine/threonine-protein kinase 17A CHEMBL4525	Ki	7.1	7.1	79.4	1
Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568	Ki	7.1	7.1	79.4	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	7.1	7.1	79.4	1
Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801	Ki	7.1	7.1	79.4	1
Misshapen-like kinase 1 CHEMBL5518	Ki	7.0	7.0	100.0	1
Dual specificity tyrosine-phosphorylation-regulated kinase 3 CHEMBL4575	Ki	7.0	7.0	100.0	1
MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204	Ki	7.0	7.0	100.0	1
Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104	Ki	7.0	7.0	100.0	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Ki	7.0	7.0	100.0	1
Serine/threonine-protein kinase BRSK1 CHEMBL5650	Ki	6.8	6.8	158.5	1
Serine/threonine-protein kinase MARK2 CHEMBL3831	Ki	6.8	6.8	158.5	1
Cyclin-dependent kinase 9 CHEMBL3116	Ki	6.8	6.8	158.5	1
Protein kinase C theta type CHEMBL3920	Ki	6.8	6.8	158.5	1
cGMP-dependent protein kinase 2 CHEMBL2896	Ki	6.8	6.8	158.5	1
Cyclin-dependent kinase 8 CHEMBL5719	Ki	6.7	6.7	199.5	1
Calcium/calmodulin-dependent protein kinase type II subunit gamma CHEMBL3829	Ki	6.7	6.7	199.5	1
Serine/threonine-protein kinase N2 CHEMBL3032	Ki	6.7	6.7	199.5	1
Ribosomal protein S6 kinase beta-1 CHEMBL4501	Ki	6.7	6.7	199.5	1
cAMP-dependent protein kinase catalytic subunit PRKX CHEMBL5818	Ki	6.7	6.7	199.5	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	6.6	6.6	251.2	1
Serine/threonine-protein kinase Sgk2 CHEMBL5794	Ki	6.6	6.6	251.2	1
STE20-like serine/threonine-protein kinase CHEMBL4202	Ki	6.6	6.6	251.2	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Ki	6.6	6.6	251.2	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Ki	6.6	6.6	251.2	1
Calcium/calmodulin-dependent protein kinase type II subunit beta CHEMBL4121	Ki	6.5	6.5	316.2	1
Cell division cycle 7-related protein kinase CHEMBL5443	Ki	6.5	6.5	316.2	1
Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587	Ki	6.4	6.4	398.1	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	6.4	6.4	398.1	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	6.4	6.4	398.1	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	6.4	6.4	398.1	1
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Ki	6.4	6.4	398.1	1
5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045	Ki	6.3	6.3	501.2	1
Cyclin-dependent kinase 5 CHEMBL4036	Ki	6.3	6.3	501.2	1
Cyclin-dependent kinase 2 CHEMBL301	Ki	6.3	6.3	501.2	1
Aurora kinase B CHEMBL2185	Ki	6.3	6.3	501.2	1
Serine/threonine-protein kinase 3 CHEMBL4708	Ki	6.3	6.3	501.2	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	6.2	6.2	631.0	1
Tyrosine-protein kinase receptor UFO CHEMBL4895	Ki	6.2	6.2	631.0	1
Lymphokine-activated killer T-cell-originated protein kinase CHEMBL4896	Ki	6.2	6.2	631.0	1
Dual specificity tyrosine-phosphorylation-regulated kinase 4 CHEMBL1075115	Ki	6.2	6.2	631.0	1
Leukocyte tyrosine kinase receptor CHEMBL5627	Ki	6.2	6.2	631.0	1
Glycogen synthase kinase-3 alpha CHEMBL2850	Ki	6.2	6.2	631.0	1
Casein kinase I isoform delta CHEMBL2828	Ki	6.2	6.2	631.0	1
Activin receptor type-1 CHEMBL5903	Ki	6.2	6.2	631.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1B	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity protein kinase CLK2	Ki	=	6.31	nM	8.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cGMP-dependent protein kinase 1	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Homeodomain-interacting protein kinase 2	Ki	=	39.81	nM	7.4	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...	-
Mitogen-activated protein kinase kinase kinase kinase 4	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase 17A	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Proto-oncogene tyrosine-protein kinase ROS	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Calcium/calmodulin-dependent protein kinase type II subunit delta	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cAMP-dependent protein kinase catalytic subunit alpha	Ki	=	79.43	nM	7.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 3	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase PLK4	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Misshapen-like kinase 1	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
MAP kinase-interacting serine/threonine-protein kinase 2	Ki	=	100.0	nM	7.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Leucine-rich repeat serine/threonine-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 BRSK1	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 9	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase MARK2	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cGMP-dependent protein kinase 2	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Protein kinase C theta type	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine