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Compound Detail

CHEMBL34380

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Oc1ccc2c(c1)SCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL34380
Phase Preclinical
Structure Type MOL
InChI Key FWPUWXBYKXYYJD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

154.2
MW (Da)
1.83
ALogP
3
HBA
1
HBD
29.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H6O2S
MW 154.19
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness 0.69

Literature References

PubMed DOI Target Context # Activities
2329571 10.1021/jm00167a032 Rattus norvegicus 2
2329571 10.1021/jm00167a032 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine