Compound Detail

CHEMBL2001751

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NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2001751
Phase	Preclinical
Structure Type	MOL
InChI Key	BSFNGHCTZDCQBF-UHFFFAOYSA-N

107

Targets

107

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

476.5

MW (Da)

5.26

ALogP

HBA

HBD

106.2

PSA (Å²)

0.28

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C29H24N4O3
MW	476.54
Aromatic Rings	5
Heavy Atoms	36
NP-Likeness	-0.65

Activity Summary

Ki 107 meas. best 9.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Serine/threonine-protein kinase pim-2 CHEMBL4523	Ki	9.0	9.0	1.0	1
cGMP-dependent protein kinase 1 CHEMBL4273	Ki	8.9	8.9	1.3	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Ki	8.6	8.6	2.5	1
cGMP-dependent protein kinase 2 CHEMBL2896	Ki	8.4	8.4	4.0	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	8.4	8.4	4.0	1
Serine/threonine-protein kinase N2 CHEMBL3032	Ki	8.3	8.3	5.0	1
Maternal embryonic leucine zipper kinase CHEMBL4578	Ki	8.3	8.3	5.0	1
RAC-gamma serine/threonine-protein kinase CHEMBL4816	Ki	8.3	8.3	5.0	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	8.2	8.2	6.3	1
Testis-specific serine/threonine-protein kinase 1 CHEMBL6003	Ki	8.2	8.2	6.3	1
Dual specificity tyrosine-phosphorylation-regulated kinase 3 CHEMBL4575	Ki	8.1	8.1	7.9	1
cAMP-dependent protein kinase catalytic subunit PRKX CHEMBL5818	Ki	8.1	8.1	7.9	1
Tyrosine-protein kinase receptor UFO CHEMBL4895	Ki	8.0	8.0	10.0	1
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform CHEMBL2349	Ki	7.9	7.9	12.6	1
Rho-associated protein kinase 2 CHEMBL2973	Ki	7.9	7.9	12.6	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	7.9	7.9	12.6	1
Serine/threonine-protein kinase 3 CHEMBL4708	Ki	7.9	7.9	12.6	1
NT-3 growth factor receptor CHEMBL5608	Ki	7.9	7.9	12.6	1
Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801	Ki	7.8	7.8	15.8	1
Serine/threonine-protein kinase 17A CHEMBL4525	Ki	7.8	7.8	15.8	1
Serine/threonine-protein kinase D2 CHEMBL4900	Ki	7.8	7.8	15.8	1
Death-associated protein kinase 3 CHEMBL2468	Ki	7.7	7.7	19.9	1
Protein kinase C delta type CHEMBL2996	Ki	7.7	7.7	19.9	1
5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045	Ki	7.7	7.7	19.9	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	Ki	7.6	7.6	25.1	1
Calcium/calmodulin-dependent protein kinase type II subunit gamma CHEMBL3829	Ki	7.6	7.6	25.1	1
Ribosomal protein S6 kinase alpha-5 CHEMBL4237	Ki	7.6	7.6	25.1	1
Serine/threonine-protein kinase Sgk2 CHEMBL5794	Ki	7.6	7.6	25.1	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	7.5	7.5	31.6	1
Protein kinase C gamma type CHEMBL2938	Ki	7.5	7.5	31.6	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	7.5	7.5	31.6	1
Homeodomain-interacting protein kinase 2 CHEMBL4576	Ki	7.4	7.4	39.8	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Ki	7.4	7.4	39.8	1
Misshapen-like kinase 1 CHEMBL5518	Ki	7.4	7.4	39.8	1
MAP/microtubule affinity-regulating kinase 3 CHEMBL5600	Ki	7.4	7.4	39.8	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	7.3	7.3	50.1	1
Tyrosine-protein kinase JAK3 CHEMBL2148	Ki	7.3	7.3	50.1	1
Serine/threonine-protein kinase Chk2 CHEMBL2527	Ki	7.3	7.3	50.1	1
3-phosphoinositide-dependent protein kinase 1 CHEMBL2534	Ki	7.3	7.3	50.1	1
Homeodomain-interacting protein kinase 4 CHEMBL1075167	Ki	7.2	7.2	63.1	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	7.2	7.2	63.1	1
Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852	Ki	7.2	7.2	63.1	1
High affinity nerve growth factor receptor CHEMBL2815	Ki	7.1	7.1	79.4	1
Serine/threonine-protein kinase MARK2 CHEMBL3831	Ki	7.1	7.1	79.4	1
SRSF protein kinase 1 CHEMBL4375	Ki	7.1	7.1	79.4	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	Ki	6.9	6.9	125.9	1
Cyclin-dependent kinase 2 CHEMBL301	Ki	6.9	6.9	125.9	1
Serine/threonine-protein kinase TAO1 CHEMBL5261	Ki	6.9	6.9	125.9	1
STE20-like serine/threonine-protein kinase CHEMBL4202	Ki	6.8	6.8	158.5	1
Serine/threonine-protein kinase BRSK1 CHEMBL5650	Ki	6.8	6.8	158.5	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Serine/threonine-protein kinase pim-2	Ki	=	1.0	nM	9.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cGMP-dependent protein kinase 1	Ki	=	1.259	nM	8.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Ki	=	2.512	nM	8.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cGMP-dependent protein kinase 2	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase kinase kinase kinase 4	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
RAC-gamma serine/threonine-protein kinase	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Maternal embryonic leucine zipper kinase	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase N2	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase D3	Ki	=	6.31	nM	8.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Testis-specific serine/threonine-protein kinase 1	Ki	=	6.31	nM	8.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cAMP-dependent protein kinase catalytic subunit PRKX	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	=	7.943	nM	8.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Tyrosine-protein kinase receptor UFO	Ki	=	10.0	nM	8.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
NT-3 growth factor receptor	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cAMP-dependent protein kinase catalytic subunit alpha	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 2	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase 3	Ki	=	12.59	nM	7.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Serine/threonine-protein kinase 17A	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Calcium/calmodulin-dependent protein kinase type II subunit delta	Ki	=	15.85	nM	7.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine