Compound Detail

CHEMBL4161350

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N#Cc1cc(F)cc(Oc2ccc(S(=O)(=O)C(F)F)c3c2CC(F)(F)C3O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4161350
Phase	Preclinical
Structure Type	MOL
InChI Key	MXUSGDMIHGLCNC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

419.3

MW (Da)

3.71

ALogP

HBA

HBD

87.4

PSA (Å²)

0.76

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 7.82

IC50 1 meas. best 8.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Endothelial PAS domain-containing protein 1 CHEMBL1744522	IC50	8.0	8.0	10.0	1
Endothelial PAS domain-containing protein 1 CHEMBL1744522	EC50	7.82	7.82	15.0	1
Vascular endothelial growth factor A, long form CHEMBL1783	EC50	7.82	7.82	15.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Endothelial PAS domain-containing protein 1	IC50	=	10.0	nM	8.0	Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 ...	30289716
Endothelial PAS domain-containing protein 1	EC50	=	15.0	nM	7.82	Antagonist activity at HIF-2alpha in human 786-O cells co-expressing HIF respons...	30289716
Vascular endothelial growth factor A, long form	EC50	=	15.0	nM	7.82	ELISA Assay: Four hours later, serial dilutions of 10× compound stocks were made...	-
Vascular endothelial growth factor A, long form	EC50	=	15.0	nM	7.82	ELISA Assay: About 7500 of 786-0 cells in 180 μL of growth medium were seeded in...	-
Vascular endothelial growth factor A, long form	EC50	=	15.0	nM	7.82	ELISA Assay: VEGF: Four hours later, serial dilutions of 10x compound stocks wer...	-

PubMed	DOI	Target Context	# Activities
30289716	10.1021/acs.jmedchem.8b01196	Endothelial PAS domain-containing protein 1	2

Data from ChEMBL 36 via Core Engine