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Compound Detail

CHEMBL416687

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CCS(=O)(=O)c1ccc(-c2ccsc2-c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL416687
Phase Preclinical
Structure Type MOL
InChI Key OGHHGUOQXRJFGQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
5.01
ALogP
3
HBA
0
HBD
34.1
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15FO2S2
MW 346.45
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.62

Literature References

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

Data from ChEMBL 36 via Core Engine