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Compound Detail

CHEMBL3929868

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COc1ccncc1NS(=O)(=O)c1ccccc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3929868
Phase Preclinical
Structure Type MOL
InChI Key PQPJGCJDZRNEKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
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 -1.75

Literature References

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

Data from ChEMBL 36 via Core Engine