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Compound Detail

CHEMBL35930

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Cc1c(C)c2c(c(C)c1O)SC(CCC(=O)O)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL35930
Phase Preclinical
Structure Type MOL
InChI Key NVSUBJYJEMTJRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
2.99
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.88
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 C13H16O4S
MW 268.33
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.82

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