Compound Detail

CHEMBL1965660

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NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc(Cl)cc1Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1965660
Phase	Preclinical
Structure Type	MOL
InChI Key	RKUKAACYUCUJEE-UHFFFAOYSA-N

Targets

154

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

348.2

MW (Da)

3.13

ALogP

HBA

HBD

110.7

PSA (Å²)

0.68

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C15H11Cl2N5O
MW	348.19
Aromatic Rings	3
Heavy Atoms	23
NP-Likeness	-0.87

Activity Summary

Ki 153 meas. best 9.7

IC50 1 meas. best 8.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cell division cycle 7-related protein kinase CHEMBL5443	Ki	9.7	9.7	0.2	2
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	9.2	9.2	0.6	2
Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543	Ki	9.2	9.2	0.6	2
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Ki	9.1	9.1	0.8	2
Cyclin-dependent kinase 9 CHEMBL3116	Ki	8.4	8.4	4.0	2
Glycogen synthase kinase-3 alpha CHEMBL2850	Ki	8.2	8.2	6.3	2
Glycogen synthase kinase-3 beta CHEMBL262	Ki	8.2	8.2	6.3	2
Casein kinase I isoform alpha CHEMBL2793	Ki	8.1	8.1	7.9	2
Dual specificity tyrosine-phosphorylation-regulated kinase 4 CHEMBL1075115	Ki	8.0	8.0	10.0	2
Dual specificity tyrosine-phosphorylation-regulated kinase 3 CHEMBL4575	Ki	8.0	8.0	10.0	2
Casein kinase I isoform gamma-3 CHEMBL5084	Ki	8.0	8.0	10.0	2
Cyclin-dependent kinase 9 CHEMBL3116	IC50	8.0	8.0	10.0	1
Casein kinase I isoform delta CHEMBL2828	Ki	7.8	7.8	15.8	2
Cyclin-dependent kinase 8 CHEMBL5719	Ki	7.8	7.8	15.8	2
Serine/threonine-protein kinase N2 CHEMBL3032	Ki	7.7	7.7	19.9	2
Tyrosine-protein kinase JAK2 CHEMBL2971	Ki	7.7	7.7	19.9	2
Serine/threonine-protein kinase 17A CHEMBL4525	Ki	7.6	7.6	25.1	2
Casein kinase I isoform gamma-2 CHEMBL2543	Ki	7.6	7.6	25.1	2
Casein kinase I isoform gamma-1 CHEMBL2426	Ki	7.6	7.6	25.1	2
Homeodomain-interacting protein kinase 2 CHEMBL4576	Ki	7.6	7.6	25.1	2
Mitogen-activated protein kinase 1 CHEMBL4040	Ki	7.5	7.5	31.6	2
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Ki	7.3	7.3	50.1	2
Serine/threonine-protein kinase Nek4 CHEMBL5819	Ki	7.3	7.3	50.1	2
Cyclin-dependent kinase 1 CHEMBL308	Ki	7.2	7.2	63.1	2
Cyclin-dependent kinase 2 CHEMBL301	Ki	7.2	7.2	63.1	2
Mitogen-activated protein kinase 13 CHEMBL2939	Ki	7.2	7.2	63.1	2
Protein kinase C theta type CHEMBL3920	Ki	7.2	7.2	63.1	2
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	7.2	7.2	63.1	2
Mitogen-activated protein kinase 12 CHEMBL4674	Ki	7.1	7.1	79.4	2
MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204	Ki	7.1	7.1	79.4	2
Interleukin-1 receptor-associated kinase 1 CHEMBL3357	Ki	7.0	7.0	100.0	2
Rho-associated protein kinase 1 CHEMBL3231	Ki	6.9	6.9	125.9	2
Protein kinase C delta type CHEMBL2996	Ki	6.8	6.8	158.5	2
Cyclin-dependent kinase 7 CHEMBL3055	Ki	6.8	6.8	158.5	2
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Ki	6.7	6.7	199.5	2
Casein kinase II subunit alpha CHEMBL3629	Ki	6.7	6.7	199.5	2
Serine/threonine-protein kinase TAO1 CHEMBL5261	Ki	6.6	6.6	251.2	2
Protein kinase C gamma type CHEMBL2938	Ki	6.6	6.6	251.2	2
Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104	Ki	6.5	6.5	316.2	2
Cyclin-dependent kinase 5 CHEMBL4036	Ki	6.5	6.5	316.2	2
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	6.5	6.5	316.2	2
Rho-associated protein kinase 2 CHEMBL2973	Ki	6.5	6.5	316.2	2
Mitogen-activated protein kinase 8 CHEMBL2276	Ki	6.4	6.4	398.1	2
Homeodomain-interacting protein kinase 4 CHEMBL1075167	Ki	6.4	6.4	398.1	2
Serine/threonine-protein kinase pim-3 CHEMBL5407	Ki	6.4	6.4	398.1	2
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	6.4	6.4	398.1	2
Death-associated protein kinase 3 CHEMBL2468	Ki	6.4	6.4	398.1	2
Serine/threonine-protein kinase PLK4 CHEMBL3788	Ki	6.3	6.3	501.2	2
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Ki	6.3	6.3	501.2	2
Mitogen-activated protein kinase 9 CHEMBL4179	Ki	6.3	6.3	501.2	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cell division cycle 7-related protein kinase	Ki	=	0.1995	nM	9.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cell division cycle 7-related protein kinase	Ki	=	0.1995	nM	9.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1B	Ki	=	0.631	nM	9.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1B	Ki	=	0.631	nM	9.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity protein kinase CLK4	Ki	=	0.631	nM	9.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity protein kinase CLK4	Ki	=	0.631	nM	9.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Ki	=	0.7943	nM	9.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Ki	=	0.7943	nM	9.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 9	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 9	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 alpha	Ki	=	6.31	nM	8.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 alpha	Ki	=	6.31	nM	8.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 beta	Ki	=	6.31	nM	8.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 beta	Ki	=	6.31	nM	8.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Casein kinase I isoform alpha	Ki	=	7.943	nM	8.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Casein kinase I isoform alpha	Ki	=	7.943	nM	8.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 3	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 4	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 4	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 9	IC50	=	10.0	nM	8.0	Inhibition of CDK9 (unknown origin)	23937569

Literature References

PubMed	DOI	Target Context	# Activities
23937569	10.1021/jm400798j	Cyclin-dependent kinase 9	1

Data from ChEMBL 36 via Core Engine