Compound Detail

CHEMBL396472

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COCCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccc(F)c4)=CC3=O)c2cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL396472
Phase	Preclinical
Structure Type	MOL
InChI Key	FFURJOHMJXGVNU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

479.5

MW (Da)

3.35

ALogP

HBA

HBD

108.9

PSA (Å²)

0.35

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.51

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.51	7.11	31.2	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 2	IC50	=	31.2	nM	7.51	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 ...	16302797
Vascular endothelial growth factor receptor 2	IC50	=	41.9	nM	7.38	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 ...	16302797
Vascular endothelial growth factor receptor 2	IC50	=	46.1	nM	7.34	Inhibition of human VEGFR2 in presence of 1 uM ATP	17416531
Vascular endothelial growth factor receptor 2	IC50	=	188.0	nM	6.73	Inhibition of human VEGFR2 in presence of 1 mM ATP	17416531
Vascular endothelial growth factor receptor 2	IC50	=	256.3	nM	6.59	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 ...	16302797

PubMed	DOI	Target Context	# Activities
17416531	10.1016/j.bmc.2007.03.055	Epidermal growth factor receptor	5
17416531	10.1016/j.bmc.2007.03.055	Vascular endothelial growth factor receptor 2	4
16302797	10.1021/jm050559f	Vascular endothelial growth factor receptor 2	3

Data from ChEMBL 36 via Core Engine