Compound Detail

CHEMBL200723

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COC1=CC(=O)C(Nc2ncnc3cc(OCC4CCN(C)CC4)c(OC)cc23)=CC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL200723
Phase	Preclinical
Structure Type	MOL
InChI Key	XMTZJEZOKDYHFG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

438.5

MW (Da)

2.34

ALogP

HBA

HBD

102.9

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 8.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	8.3	6.79	5.0	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 2	IC50	=	5.0	nM	8.3	Inhibitory activity against VEGF stimulated autophosphorylation of VEGFR2 expres...	16302797
Vascular endothelial growth factor receptor 2	IC50	=	129.9	nM	6.89	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 ...	16302797
Vascular endothelial growth factor receptor 2	IC50	=	239.3	nM	6.62	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 ...	16302797
Vascular endothelial growth factor receptor 2	IC50	=	239.7	nM	6.62	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 ...	16302797
Vascular endothelial growth factor receptor 2	IC50	=	3020.7	nM	5.52	Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 1 m...	16302797

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

Data from ChEMBL 36 via Core Engine