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Compound Detail

CHEMBL316825

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O=c1c2ccccc2[s+]([O-])n1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL316825
Phase Preclinical
Structure Type MOL
InChI Key QOMHFTHJJLXALW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

243.3
MW (Da)
2.72
ALogP
3
HBA
0
HBD
45.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9NO2S
MW 243.29
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80782-4 Bos taurus 1

Data from ChEMBL 36 via Core Engine