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Compound Detail

CHEMBL5833889

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Cc1c(S(=O)(=O)C(F)F)ccc(Oc2cc(F)cc(Cl)c2)c1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5833889
Phase Preclinical
Structure Type MOL
InChI Key IPWVTPJQGUEUOL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.8
MW (Da)
4.45
ALogP
4
HBA
0
HBD
67.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9ClF3NO3S
MW 375.75
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.72

Activity Summary

IC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endothelial PAS domain-containing protein 1
CHEMBL1744522
 IC50 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Endothelial PAS domain-containing protein 1 IC50 = 18.0 nM 7.75 Scintillation Proximity Assay (SPA): HIF-2a: The total assay volume was about 10... -

Data from ChEMBL 36 via Core Engine