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Compound Detail

CHEMBL328146

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CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CC3(CCCCC3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL328146
Phase Preclinical
Structure Type MOL
InChI Key OKZIUHCRLRFBLP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
5.88
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25FO2S
MW 384.52
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
8568815 10.1021/jm950664x Prostaglandin G/H synthase 2 1
8568815 10.1021/jm950664x Prostaglandin G/H synthase 1 1
- 10.1016/0960-894X(95)00131-C Prostaglandin G/H synthase 1 1
- 10.1016/0960-894X(95)00131-C Prostaglandin G/H synthase 2 1
- 10.1016/0960-894X(95)00131-C Rattus norvegicus 1
- 10.1016/0960-894X(95)00131-C No relevant target 1

Data from ChEMBL 36 via Core Engine