Compound Detail

CHEMBL4519953

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Cc1ccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4519953
Phase	Preclinical
Structure Type	MOL
InChI Key	GXCMCDVHMWZWJF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

326.4

MW (Da)

4.36

ALogP

HBA

HBD

43.6

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 9.36

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Ephrin type-B receptor 4 CHEMBL5147	IC50	9.36	9.36	0.4	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.8	7.8	15.9	1
EA.hy 926 CHEMBL4296410	IC50	5.19	5.19	6490.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Ephrin type-B receptor 4	IC50	=	0.44	nM	9.36	Inhibition of EPHB4 (unknown origin) after 4 hrs by ADP-Glo reagent based lumine...	30503935
Vascular endothelial growth factor receptor 2	IC50	=	15.9	nM	7.8	Inhibition of VEGFR2 (unknown origin) after 1 hr by ADP-Glo reagent based lumine...	30503935
EA.hy 926	IC50	=	6490.0	nM	5.19	Anti-angiogenic activity against human EAhy926 after 24 hrs by CCK-8 assay	30503935

PubMed	DOI	Target Context	# Activities
30503935	10.1016/j.ejmech.2018.11.042	Vascular endothelial growth factor receptor 2	1
30503935	10.1016/j.ejmech.2018.11.042	Angiopoietin-1 receptor	1
30503935	10.1016/j.ejmech.2018.11.042	Ephrin type-B receptor 4	1
30503935	10.1016/j.ejmech.2018.11.042	EA.hy 926	1

Data from ChEMBL 36 via Core Engine