Compound Detail

CHEMBL4556134

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c1ccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4556134
Phase	Preclinical
Structure Type	MOL
InChI Key	TYNIZPFUWFETEF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

312.4

MW (Da)

4.06

ALogP

HBA

HBD

43.6

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.62

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Angiopoietin-1 receptor CHEMBL4128	IC50	7.62	7.62	24.2	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.44	7.44	36.2	1
EA.hy 926 CHEMBL4296410	IC50	4.92	4.92	12090.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Angiopoietin-1 receptor	IC50	=	24.19	nM	7.62	Inhibition of TIE2 (unknown origin) after 4 hrs by ADP-Glo reagent based lumines...	30503935
Vascular endothelial growth factor receptor 2	IC50	=	36.16	nM	7.44	Inhibition of VEGFR2 (unknown origin) after 1 hr by ADP-Glo reagent based lumine...	30503935
EA.hy 926	IC50	=	12090.0	nM	4.92	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