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Compound Detail

CHEMBL496463

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C[S+]([O-])c1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496463
Phase Preclinical
Structure Type MOL
InChI Key ZJANWFSEWMXADV-MDWZMJQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.98
ALogP
2
HBA
1
HBD
60.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15FO3S
MW 342.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.14

Literature References

PubMed DOI Target Context # Activities
18665581 10.1021/jm700969c Peroxisome proliferator-activated receptor gamma 2
18665581 10.1021/jm700969c Prostaglandin G/H synthase 1 1
18665581 10.1021/jm700969c Prostaglandin G/H synthase 2 1
22263894 10.1021/jm201528b Prostaglandin G/H synthase 1 1
22263894 10.1021/jm201528b Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine