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Compound Detail

CHEMBL5415122

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Cc1ccccc1COc1ccc([S+]([O-])CC(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5415122
Phase Preclinical
Structure Type MOL
InChI Key LALNJHICTWXVQS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
2.77
ALogP
3
HBA
1
HBD
69.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16O4S
MW 304.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
36933395 10.1016/j.ejmech.2023.115267 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine