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Compound Detail

CHEMBL3955343

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Cc1ccncc1NS(=O)(=O)c1ccccc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3955343
Phase Preclinical
Structure Type MOL
InChI Key FAJFEBBLFMECNH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.3
MW (Da)
3.21
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11F3N2O2S
MW 316.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.91

Literature References

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

Data from ChEMBL 36 via Core Engine