Compound Detail

CHEMBL246152

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CNc1ncnc(-c2cccnc2Oc2cc(NC(=O)c3cccc(OC(F)(F)F)c3)ccc2C)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL246152
Phase	Preclinical
Structure Type	MOL
InChI Key	CLLIAZGFVKRLRZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

496.4

MW (Da)

5.23

ALogP

HBA

HBD

111.2

PSA (Å²)

0.36

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.1

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Angiopoietin-1 receptor CHEMBL4128	IC50	8.1	7.96	8.0	2
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.36	6.315	442.0	2

Parameter	Value	Units	Species
CL	83.0	mL.min-1.kg-1	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Angiopoietin-1 receptor	IC50	=	8.0	nM	8.1	Inhibition of Tie2 after 90 mins by HTRF assay	17350837
Angiopoietin-1 receptor	IC50	=	15.0	nM	7.82	Inhibition of Tie2 autophosphorylation in EA.hy926 cells after 2.5 hrs	17350837
Vascular endothelial growth factor receptor 2	IC50	=	442.0	nM	6.36	Inhibition of KDR after 90 mins by HTRF assay	17350837
Vascular endothelial growth factor receptor 2	IC50	=	540.0	nM	6.27	Inhibition of KDR autophosphorylation in EA.hy926 cells after 2.5 hrs	17350837

PubMed	DOI	Target Context	# Activities
17350837	10.1016/j.bmcl.2007.02.067	Angiopoietin-1 receptor	2
17350837	10.1016/j.bmcl.2007.02.067	Vascular endothelial growth factor receptor 2	2
17350837	10.1016/j.bmcl.2007.02.067	Rattus norvegicus	1

Data from ChEMBL 36 via Core Engine