Compound Detail

CHEMBL4553163

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Cc1cccc(-c2cn(Cc3ccc(-c4cncnc4)cc3)nn2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4553163
Phase	Preclinical
Structure Type	MOL
InChI Key	VZRIBSCWFNIDIU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

327.4

MW (Da)

3.76

ALogP

HBA

HBD

56.5

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.59

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	8.59	8.59	2.6	1
Angiopoietin-1 receptor CHEMBL4128	IC50	7.86	7.86	13.7	1
Ephrin type-B receptor 4 CHEMBL5147	IC50	7.54	7.54	28.6	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 2	IC50	=	2.57	nM	8.59	Inhibition of VEGFR-2 (unknown origin) after 1 hrs by ADP-Glo luminescence assay	30616052
Angiopoietin-1 receptor	IC50	=	13.71	nM	7.86	Inhibition of Tie-2 (unknown origin) after 1 hrs by ADP-Glo luminescence assay	30616052
Ephrin type-B receptor 4	IC50	=	28.62	nM	7.54	Inhibition of EphB4 (unknown origin) after 1 hrs by ADP-Glo luminescence assay	30616052

PubMed	DOI	Target Context	# Activities
30616052	10.1016/j.ejmech.2018.12.067	EA.hy 926	2
30616052	10.1016/j.ejmech.2018.12.067	Vascular endothelial growth factor receptor 2	1
30616052	10.1016/j.ejmech.2018.12.067	Angiopoietin-1 receptor	1
30616052	10.1016/j.ejmech.2018.12.067	Ephrin type-B receptor 4	1

Data from ChEMBL 36 via Core Engine