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Compound Detail

CHEMBL3901925

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COc1ncccc1NS(=O)(=O)c1ccccc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL3901925
Phase Preclinical
Structure Type MOL
InChI Key DPXLXLKVLBMTCA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.3
MW (Da)
2.91
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11F3N2O3S
MW 332.30
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.05

Activity Summary

IC50 1 meas. best 5.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Solute carrier family 22 member 12
CHEMBL6120
IC50 5.41 5.41 3920.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C6MD00191B Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine