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Compound Detail

CHEMBL367885

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CC(C)(O)c1scc(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL367885
Phase Preclinical
Structure Type MOL
InChI Key VHLXBWNRMXOHLQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
4.85
ALogP
4
HBA
1
HBD
54.4
PSA (Ų)
0.69
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 C20H19FO3S2
MW 390.50
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00564-A Prostaglandin G/H synthase 1 1
- 10.1016/0960-894X(95)00564-A Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine