Compound Detail

CHEMBL6009433

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CS(=O)(=NC#N)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)C(F)(F)[C@@H]2F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL6009433
Phase	Preclinical
Structure Type	MOL
InChI Key	YEUWSUWCOJCFQV-PBIRFBQVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

425.4

MW (Da)

4.12

ALogP

HBA

HBD

106.5

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

EC50 5 meas. best 7.85

IC50 1 meas. best 7.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Endothelial PAS domain-containing protein 1 CHEMBL1744522	IC50	7.85	7.85	14.0	1
Vascular endothelial growth factor A, long form CHEMBL1783	EC50	7.85	7.802	14.0	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor A, long form	EC50	=	14.0	nM	7.85	ELISA Assay: Four hours later, serial dilutions of 10× compound stocks were made...	-
Vascular endothelial growth factor A, long form	EC50	=	14.0	nM	7.85	ELISA Assay: About 7500 of 786-0 cells in 180 μL of growth medium were seeded in...	-
Endothelial PAS domain-containing protein 1	IC50	=	14.0	nM	7.85	Scintillation Proximity Assay (SPA): HIF-2a: The total assay volume was about 10...	-
Vascular endothelial growth factor A, long form	EC50	=	17.0	nM	7.77	ELISA Assay: Four hours later, serial dilutions of 10× compound stocks were made...	-
Vascular endothelial growth factor A, long form	EC50	=	17.0	nM	7.77	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	=	17.0	nM	7.77	ELISA Assay: VEGF: Four hours later, serial dilutions of 10x compound stocks wer...	-

Data from ChEMBL 36 via Core Engine