Compound Detail

CHEMBL242555

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COCCOc1cc2ncnc(NC3=CC(=O)C(OCc4ccccc4)=CC3=O)c2cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL242555
Phase	Preclinical
Structure Type	MOL
InChI Key	TXBSQQYNCZSLPI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

461.5

MW (Da)

3.21

ALogP

HBA

HBD

108.9

PSA (Å²)

0.36

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.37

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.37	7.046	43.0	5

Parameter	Value	Units	Species
T1/2	54.0	hr	-
T1/2	55.0	hr	-

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 2	IC50	=	43.0	nM	7.37	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 ...	16302797
Vascular endothelial growth factor receptor 2	IC50	=	50.3	nM	7.3	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 ...	16302797
Vascular endothelial growth factor receptor 2	IC50	=	53.7	nM	7.27	Inhibition of human VEGFR2 in presence of 1 uM ATP	17416531
Vascular endothelial growth factor receptor 2	IC50	=	140.0	nM	6.85	Inhibition of human VEGFR2 in presence of 1 mM ATP	17416531
Vascular endothelial growth factor receptor 2	IC50	=	366.1	nM	6.44	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
16302797	10.1021/jm050559f	Vascular endothelial growth factor receptor 2	3
17416531	10.1016/j.bmc.2007.03.055	Vascular endothelial growth factor receptor 2	3
16302797	10.1021/jm050559f	ADMET	2

Data from ChEMBL 36 via Core Engine