Compound Detail

CHEMBL272767

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Cc1cc(C)cc(NC(=O)Nc2ccc(-c3nccc4[nH]nc(N)c34)cc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL272767
Phase	Preclinical
Structure Type	MOL
InChI Key	BPYQHIKNAWZNRS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

372.4

MW (Da)

4.47

ALogP

HBA

HBD

108.7

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 7.92

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.92	7.555	12.0	6

Parameter	Value	Units	Species
AUC	331.46	ng.hr.mL-1	Mus musculus
CL	43.7	mL.min-1.kg-1	Mus musculus
F	9.0	%	Mus musculus
T1/2	0.45	hr	Mus musculus
Vd	1.71	L.kg-1	Mus musculus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 2	IC50	=	12.0	nM	7.92	Inhibition of KDR by HTRF assay	18023347
Vascular endothelial growth factor receptor 2	IC50	=	12.0	nM	7.92	Inhibition of KDR kinase activity (unknown origin)	-
Vascular endothelial growth factor receptor 2	IC50	=	12.0	nM	7.92	Inhibition of KDR kinase activity (unknown origin)	-
Vascular endothelial growth factor receptor 2	IC50	=	65.0	nM	7.19	Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells	18023347
Vascular endothelial growth factor receptor 2	IC50	=	65.0	nM	7.19	Inhibition of KDR (unknown origin) in cell-based assay	-
Vascular endothelial growth factor receptor 2	IC50	=	65.0	nM	7.19	Inhibition of KDR (unknown origin) in cell-based assay	-

PubMed	DOI	Target Context	# Activities
18023347	10.1016/j.bmcl.2007.10.018	Mus musculus	6
-	10.1007/s00044-011-9926-4	Vascular endothelial growth factor receptor 2	4
18023347	10.1016/j.bmcl.2007.10.018	Vascular endothelial growth factor receptor 2	2

Data from ChEMBL 36 via Core Engine