Compound Detail

CHEMBL1980407

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NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1980407
Phase	Preclinical
Structure Type	MOL
InChI Key	NWMPVMMGSHXANZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

436.5

MW (Da)

4.52

ALogP

HBA

HBD

93.0

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C27H24N4O2
MW	436.52
Aromatic Rings	4
Heavy Atoms	33
NP-Likeness	-0.55

Activity Summary

Ki 66 meas. best 9.5

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Dual specificity protein kinase CLK4 CHEMBL4203	Ki	9.5	9.5	0.3	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292	Ki	9.4	9.4	0.4	1
Vascular endothelial growth factor receptor 2 CHEMBL279	Ki	9.2	9.2	0.6	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	Ki	9.2	9.2	0.6	1
Cyclin-dependent kinase 5 CHEMBL4036	Ki	9.2	9.2	0.6	1
Dual specificity protein kinase CLK2 CHEMBL4225	Ki	9.1	9.1	0.8	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543	Ki	9.0	9.0	1.0	1
cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101	Ki	8.9	8.9	1.3	1
Glycogen synthase kinase-3 alpha CHEMBL2850	Ki	8.9	8.9	1.3	1
Macrophage-stimulating protein receptor CHEMBL2689	Ki	8.8	8.8	1.6	1
Glycogen synthase kinase-3 beta CHEMBL262	Ki	8.6	8.6	2.5	1
Platelet-derived growth factor receptor beta CHEMBL1913	Ki	8.5	8.5	3.2	1
5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045	Ki	8.5	8.5	3.2	1
Protein kinase C theta type CHEMBL3920	Ki	8.4	8.4	4.0	1
Rho-associated protein kinase 1 CHEMBL3231	Ki	8.4	8.4	4.0	1
Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166	Ki	8.3	8.3	5.0	1
Death-associated protein kinase 3 CHEMBL2468	Ki	8.3	8.3	5.0	1
Ribosomal protein S6 kinase alpha-3 CHEMBL2345	Ki	8.3	8.3	5.0	1
BDNF/NT-3 growth factors receptor CHEMBL4898	Ki	8.3	8.3	5.0	1
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	Ki	8.3	8.3	5.0	1
Leucine-rich repeat serine/threonine-protein kinase 2 CHEMBL1075104	Ki	8.2	8.2	6.3	1
Serine/threonine-protein kinase TBK1 CHEMBL5408	Ki	8.1	8.1	7.9	1
Cyclin-dependent kinase 7 CHEMBL3055	Ki	8.0	8.0	10.0	1
Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330	Ki	7.8	7.8	15.8	1
Serine/threonine-protein kinase D3 CHEMBL2595	Ki	7.8	7.8	15.8	1
NT-3 growth factor receptor CHEMBL5608	Ki	7.8	7.8	15.8	1
Inhibitor of nuclear factor kappa-B kinase subunit epsilon CHEMBL3529	Ki	7.7	7.7	19.9	1
Tyrosine-protein kinase JAK3 CHEMBL2148	Ki	7.7	7.7	19.9	1
Tyrosine-protein kinase receptor TYRO3 CHEMBL5314	Ki	7.6	7.6	25.1	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	Ki	7.6	7.6	25.1	1
Serine/threonine-protein kinase PAK 4 CHEMBL4482	Ki	7.5	7.5	31.6	1
cAMP-dependent protein kinase catalytic subunit PRKX CHEMBL5818	Ki	7.4	7.4	39.8	1
Aurora kinase B CHEMBL2185	Ki	7.4	7.4	39.8	1
G protein-coupled receptor kinase 5 CHEMBL5678	Ki	7.4	7.4	39.8	1
High affinity nerve growth factor receptor CHEMBL2815	Ki	7.2	7.2	63.1	1
Tyrosine-protein kinase ABL1 CHEMBL1862	Ki	7.2	7.2	63.1	1
Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL4147	Ki	7.2	7.2	63.1	1
Calcium/calmodulin-dependent protein kinase type 1D CHEMBL5073	Ki	7.2	7.2	63.1	1
Tyrosine-protein kinase JAK2 CHEMBL2971	Ki	7.2	7.2	63.1	1
Leukocyte tyrosine kinase receptor CHEMBL5627	Ki	6.9	6.9	125.9	1
Platelet-derived growth factor receptor alpha CHEMBL2007	Ki	6.9	6.9	125.9	1
Fibroblast growth factor receptor 1 CHEMBL3650	Ki	6.9	6.9	125.9	1
Cyclin-dependent kinase 9 CHEMBL3116	Ki	6.8	6.8	158.5	1
ALK tyrosine kinase receptor CHEMBL4247	Ki	6.7	6.7	199.5	1
Serine/threonine-protein kinase TAO1 CHEMBL5261	Ki	6.6	6.6	251.2	1
Aurora kinase A CHEMBL4722	Ki	6.6	6.6	251.2	1
Tyrosine-protein kinase Lck CHEMBL258	Ki	6.6	6.6	251.2	1
Serine/threonine-protein kinase Chk1 CHEMBL4630	Ki	6.6	6.6	251.2	1
Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587	Ki	6.5	6.5	316.2	1
Hepatocyte growth factor receptor CHEMBL3717	Ki	6.5	6.5	316.2	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Dual specificity protein kinase CLK4	Ki	=	0.3162	nM	9.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Ki	=	0.3981	nM	9.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 2	Ki	=	0.631	nM	9.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Cyclin-dependent kinase 5	Ki	=	0.631	nM	9.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Vascular endothelial growth factor receptor 1	Ki	=	0.631	nM	9.2	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity protein kinase CLK2	Ki	=	0.7943	nM	9.1	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Dual specificity tyrosine-phosphorylation-regulated kinase 1B	Ki	=	1.0	nM	9.0	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 alpha	Ki	=	1.259	nM	8.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
cAMP-dependent protein kinase catalytic subunit alpha	Ki	=	1.259	nM	8.9	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Macrophage-stimulating protein receptor	Ki	=	1.585	nM	8.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Glycogen synthase kinase-3 beta	Ki	=	2.512	nM	8.6	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
5'-AMP-activated protein kinase catalytic subunit alpha-1	Ki	=	3.162	nM	8.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Platelet-derived growth factor receptor beta	Ki	=	3.162	nM	8.5	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Protein kinase C theta type	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Rho-associated protein kinase 1	Ki	=	3.981	nM	8.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
BDNF/NT-3 growth factors receptor	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Death-associated protein kinase 3	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Mitogen-activated protein kinase kinase kinase kinase 4	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-
Ribosomal protein S6 kinase alpha-3	Ki	=	5.012	nM	8.3	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na...	-

Data from ChEMBL 36 via Core Engine