Compound Detail

CHEMBL3706826

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COc1cc2c(NC3=CC(=O)C(OC(CF)CF)=CC3=O)ncnc2cc1OCC1CCN(C)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3706826
Phase	Preclinical
Structure Type	MOL
InChI Key	FTDHOACXVYZSHC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

502.5

MW (Da)

3.01

ALogP

HBA

HBD

102.9

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 8.43

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	8.43	7.91	3.7	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 2	IC50	=	3.7	nM	8.43	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 ...	16302797
Vascular endothelial growth factor receptor 2	IC50	=	5.1	nM	8.29	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 ...	16302797
Vascular endothelial growth factor receptor 2	IC50	=	6.9	nM	8.16	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 ...	16302797
Vascular endothelial growth factor receptor 2	IC50	=	11.2	nM	7.95	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 1 m...	16302797
Vascular endothelial growth factor receptor 2	IC50	=	189.0	nM	6.72	Inhibitory activity against VEGF stimulated autophosphorylation of VEGFR2 expres...	16302797

PubMed	DOI	Target Context	# Activities
16302797	10.1021/jm050559f	Vascular endothelial growth factor receptor 2	5

Data from ChEMBL 36 via Core Engine