Compound Detail

CHEMBL1969523

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Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1969523
Phase	Preclinical
Structure Type	MOL
InChI Key	CKVWQORGCCEYHS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

379.5

MW (Da)

3.71

ALogP

HBA

HBD

96.0

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	C21H25N5O2
MW	379.46
Aromatic Rings	3
Heavy Atoms	28
NP-Likeness	-1.04

Activity Summary

Ki 61 meas. best 7.8

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Death-associated protein kinase 3 CHEMBL2468	Ki	7.8	7.8	15.8	1
Serine/threonine-protein kinase PLK3 CHEMBL4897	Ki	7.8	7.8	15.8	1
Serine/threonine-protein kinase PLK4 CHEMBL3788	Ki	7.8	7.8	15.8	1
Aurora kinase B CHEMBL2185	Ki	7.7	7.7	19.9	1
Serine/threonine-protein kinase Chk2 CHEMBL2527	Ki	7.7	7.7	19.9	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Ki	7.6	7.6	25.1	1
MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204	Ki	7.6	7.6	25.1	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	7.3	7.3	50.1	1
Maternal embryonic leucine zipper kinase CHEMBL4578	Ki	7.3	7.3	50.1	1
3-phosphoinositide-dependent protein kinase 1 CHEMBL2534	Ki	7.3	7.3	50.1	1
Testis-specific serine/threonine-protein kinase 1 CHEMBL6003	Ki	7.2	7.2	63.1	1
Casein kinase I isoform gamma-2 CHEMBL2543	Ki	7.2	7.2	63.1	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	6.9	6.9	125.9	1
Serine/threonine-protein kinase Chk1 CHEMBL4630	Ki	6.9	6.9	125.9	1
Aurora kinase A CHEMBL4722	Ki	6.9	6.9	125.9	1
Cell division cycle 7-related protein kinase CHEMBL5443	Ki	6.9	6.9	125.9	1
Testis-specific serine/threonine-protein kinase 2 CHEMBL6014	Ki	6.8	6.8	158.5	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	6.8	6.8	158.5	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	6.8	6.8	158.5	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	6.6	6.6	251.2	1
5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045	Ki	6.6	6.6	251.2	1
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Ki	6.6	6.6	251.2	1
cAMP-dependent protein kinase catalytic subunit PRKX CHEMBL5818	Ki	6.6	6.6	251.2	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	6.6	6.6	251.2	1
Cyclin-dependent kinase 2 CHEMBL301	Ki	6.5	6.5	316.2	1
Serine/threonine-protein kinase PLK1 CHEMBL3024	Ki	6.5	6.5	316.2	1
Tyrosine-protein kinase receptor UFO CHEMBL4895	Ki	6.5	6.5	316.2	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Ki	6.5	6.5	316.2	1
Serine/threonine-protein kinase BRSK1 CHEMBL5650	Ki	6.5	6.5	316.2	1
Casein kinase II subunit alpha CHEMBL3629	Ki	6.5	6.5	316.2	1
Serine/threonine-protein kinase Nek4 CHEMBL5819	Ki	6.5	6.5	316.2	1
Serine/threonine-protein kinase MARK2 CHEMBL3831	Ki	6.5	6.5	316.2	1
Serine/threonine-protein kinase Nek2 CHEMBL3835	Ki	6.5	6.5	316.2	1
Cyclin-dependent kinase 1 CHEMBL308	Ki	6.4	6.4	398.1	1
Mitogen-activated protein kinase 1 CHEMBL4040	Ki	6.4	6.4	398.1	1
Hepatocyte growth factor receptor CHEMBL3717	Ki	6.3	6.3	501.2	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	6.3	6.3	501.2	1
LIM domain kinase 1 CHEMBL3836	Ki	6.3	6.3	501.2	1
Glycogen synthase kinase-3 alpha CHEMBL2850	Ki	6.3	6.3	501.2	1
Rho-associated protein kinase 2 CHEMBL2973	Ki	6.3	6.3	501.2	1
Homeodomain-interacting protein kinase 4 CHEMBL1075167	Ki	6.3	6.3	501.2	1
Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886	Ki	6.2	6.2	631.0	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	6.2	6.2	631.0	1
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	6.2	6.2	631.0	1
Serine/threonine-protein kinase pim-1 CHEMBL2147	Ki	6.1	6.1	794.3	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	6.1	6.1	794.3	1
Interleukin-1 receptor-associated kinase 1 CHEMBL3357	Ki	6.0	6.0	1000.0	1
Serine/threonine-protein kinase N2 CHEMBL3032	Ki	6.0	6.0	1000.0	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Ki	6.0	6.0	1000.0	1
Serine/threonine-protein kinase Sgk2 CHEMBL5794	Ki	6.0	6.0	1000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Serine/threonine-protein kinase PLK4	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Death-associated protein kinase 3	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase PLK3	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase B	Ki	=	19.95	nM	7.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase Chk2	Ki	=	19.95	nM	7.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
MAP kinase-interacting serine/threonine-protein kinase 2	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 1	Ki	=	25.12	nM	7.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Maternal embryonic leucine zipper kinase	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 3	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
3-phosphoinositide-dependent protein kinase 1	Ki	=	50.12	nM	7.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Casein kinase I isoform gamma-2	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Testis-specific serine/threonine-protein kinase 1	Ki	=	63.1	nM	7.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Aurora kinase A	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cell division cycle 7-related protein kinase	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase Chk1	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase D2	Ki	=	125.89	nM	6.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Testis-specific serine/threonine-protein kinase 2	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase D3	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 2	Ki	=	158.49	nM	6.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
MAP/microtubule affinity-regulating kinase 3	Ki	=	251.19	nM	6.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine