Compound Detail

CHEMBL604263

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Nc1ccc2c(c1)/C(=C1/Nc3ccccc3/C1=N\O)C(=O)N2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL604263
Phase	Preclinical
Structure Type	MOL
InChI Key	SQVBZWHGFBQRIR-WAVHTBQISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

292.3

MW (Da)

2.24

ALogP

HBA

HBD

99.7

PSA (Å²)

0.26

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 9 meas. best 7.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	7.0	6.945	100.0	2
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	6.89	6.89	128.0	1
Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600	IC50	6.82	6.82	150.0	1
Serine/threonine-protein kinase 17B CHEMBL3980	IC50	6.6	6.6	250.0	1
Glycogen synthase kinase-3 CHEMBL2366565	IC50	6.44	6.44	360.0	1
MV4-11 CHEMBL613835	IC50	5.78	5.78	1650.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.48	5.48	3340.0	1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508	IC50	5.38	5.38	4200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	100.0	nM	7.0	Inhibition of Marthasterias glacialis CDK1/cyclin-B assessed as [gamma-33P]ATP i...	19665384
Unchecked	IC50	=	130.0	nM	6.89	Inhibition of porcine brain CK1 assessed as [gamma-33P]ATP incorporation after 1...	19665384
Receptor-type tyrosine-protein kinase FLT3	IC50	=	128.0	nM	6.89	Inhibition of FLT3 by HTRF assay	20153646
Cyclin-dependent kinase 5/CDK5 activator 1	IC50	=	150.0	nM	6.82	Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamm...	19665384
Serine/threonine-protein kinase 17B	IC50	=	250.0	nM	6.6	Inhibition of DRAK2 (unknown origin) using MRLC3 peptide as substrate incubated ...	27106709
Glycogen synthase kinase-3	IC50	=	360.0	nM	6.44	Inhibition of porcine brain GSK3alpha/beta assessed as [gamma-33P]ATP incorporat...	19665384
MV4-11	IC50	=	1650.0	nM	5.78	Antiproliferative activity against wild type FLT3 expressing human MV411 cells a...	20153646
NON-PROTEIN TARGET	IC50	=	3340.0	nM	5.48	Antiproliferative activity against human RS4:11 cells having FLT3-ITD mutation a...	20153646
Dual specificity tyrosine-phosphorylation-regulated kinase 1A	IC50	=	4200.0	nM	5.38	Inhibition of GST-fused rat recombinant DYRK1A expressed in Escherichia coli ass...	19665384

PubMed	DOI	Target Context	# Activities
19665384	10.1016/j.bmc.2009.07.051	Unchecked	2
19665384	10.1016/j.bmc.2009.07.051	Cyclin-dependent kinase 5/CDK5 activator 1	1
19665384	10.1016/j.bmc.2009.07.051	Glycogen synthase kinase-3	1
19665384	10.1016/j.bmc.2009.07.051	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	1
20153646	10.1016/j.bmcl.2010.01.039	Receptor-type tyrosine-protein kinase FLT3	1
20153646	10.1016/j.bmcl.2010.01.039	NON-PROTEIN TARGET	1
20153646	10.1016/j.bmcl.2010.01.039	MV4-11	1
27106709	10.1016/j.bmcl.2016.03.111	Serine/threonine-protein kinase 17B	1

Data from ChEMBL 36 via Core Engine