Compound Detail

CHEMBL377345

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O=c1[nH]c2ccccc2c(O)c1-c1nc2ccccc2[nH]1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL377345
Phase	Preclinical
Structure Type	MOL
InChI Key	YXCWBNCDJZEBKY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

277.3

MW (Da)

2.78

ALogP

HBA

HBD

81.8

PSA (Å²)

0.50

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 7.7

EC50 2 meas. best 6.38

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	7.7	7.7	20.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	7.05	6.86	90.0	2
Vascular endothelial growth factor receptor 2 CHEMBL3337	IC50	6.94	6.94	114.0	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	IC50	6.79	6.79	162.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.62	6.62	240.0	1
Platelet-derived growth factor receptor beta CHEMBL2749	IC50	6.4	6.4	395.0	1
NON-PROTEIN TARGET CHEMBL3879801	EC50	6.38	6.38	420.0	1
HMEC CHEMBL614734	EC50	6.37	6.37	428.0	1
Serine/threonine-protein kinase Chk1 CHEMBL4630	IC50	5.53	5.53	2950.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Platelet-derived growth factor receptor beta	IC50	=	20.0	nM	7.7	Inhibition of human recombinant PDGFRbeta	19113866
Fibroblast growth factor receptor 1	IC50	=	90.0	nM	7.05	Inhibition of human recombinant FGFR1	19113866
Vascular endothelial growth factor receptor 2	IC50	=	114.0	nM	6.94	Inhibitory activity against VEGFR2	16446087
Vascular endothelial growth factor receptor 1	IC50	=	162.0	nM	6.79	Inhibitory activity against VEGFR1	16446087
Fibroblast growth factor receptor 1	IC50	=	215.0	nM	6.67	Inhibitory activity against FGFR1	16446087
Vascular endothelial growth factor receptor 2	IC50	=	240.0	nM	6.62	Inhibition of human recombinant VEGFR2	19113866
Platelet-derived growth factor receptor beta	IC50	=	395.0	nM	6.4	Inhibitory activity against PDGFRbeta	16446087
NON-PROTEIN TARGET	EC50	=	420.0	nM	6.38	Inhibition of VEGF-mediated proliferation of HMVEC after 72 hrs	19113866
HMEC	EC50	=	428.0	nM	6.37	Activity against HMVEC	16446087
Serine/threonine-protein kinase Chk1	IC50	=	2950.0	nM	5.53	Inhibition of CHK1	16603354

PubMed	DOI	Target Context	# Activities
16446087	10.1016/j.bmcl.2006.01.020	Vascular endothelial growth factor receptor 1	1
16446087	10.1016/j.bmcl.2006.01.020	Vascular endothelial growth factor receptor 2	1
16446087	10.1016/j.bmcl.2006.01.020	Platelet-derived growth factor receptor beta	1
16446087	10.1016/j.bmcl.2006.01.020	Fibroblast growth factor receptor 1	1
16446087	10.1016/j.bmcl.2006.01.020	HMEC	1
16603354	10.1016/j.bmcl.2006.03.059	Serine/threonine-protein kinase Chk1	1
19113866	10.1021/jm800790t	Vascular endothelial growth factor receptor 2	1
19113866	10.1021/jm800790t	Fibroblast growth factor receptor 1	1
19113866	10.1021/jm800790t	Platelet-derived growth factor receptor beta	1
19113866	10.1021/jm800790t	NON-PROTEIN TARGET	1

Data from ChEMBL 36 via Core Engine