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Compound Detail

CHEMBL11666

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NC(CCCCC[S+]([O-])c1ccccc1O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11666
Phase Preclinical
Structure Type MOL
InChI Key PUQHFNLZQGTKJB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
1.47
ALogP
4
HBA
3
HBD
106.6
PSA (Ų)
0.50
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 C13H19NO4S
MW 285.37
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.83

Literature References

PubMed DOI Target Context # Activities
2155321 10.1021/jm00165a030 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine