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Compound Detail

CHEMBL3666697

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Cc1cc(NS(C)(=O)=O)ccc1-c1cnccc1OCC(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3666697
Phase Preclinical
Structure Type MOL
InChI Key AENATPIHQUMFQT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
3.37
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15F3N2O3S
MW 360.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Steroid 17-alpha-hydroxylase/17,20 lyase
CHEMBL3522
 IC50 8.85 8.85 1.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Steroid 17-alpha-hydroxylase/17,20 lyase IC50 = 1.4 nM 8.85 Total SPA Assay: The assays were performed in U-bottom 384-well optiplates. The ... -

Data from ChEMBL 36 via Core Engine