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Compound Detail

CHEMBL11665

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NC(CCCCCS(=O)(=O)c1ccccc1O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11665
Phase Preclinical
Structure Type MOL
InChI Key ZTFFDATUZMZEEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
1.14
ALogP
5
HBA
3
HBD
117.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19NO5S
MW 301.36
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
2155321 10.1021/jm00165a030 No relevant target 1
2155321 10.1021/jm00165a030 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine