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Compound Detail

CHEMBL302543

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O=C(O)Cc1ccc(-c2ccsc2-c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL302543
Phase Preclinical
Structure Type MOL
InChI Key JYNBLSJEKKVGMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
4.85
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.75
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 C18H13FO2S
MW 312.36
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00359-2 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine