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Compound Detail

CHEMBL302527

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C=CCn1cc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL302527
Phase Preclinical
Structure Type MOL
InChI Key OCZIHHJYNVJLQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.95
ALogP
4
HBA
0
HBD
52.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17FN2O2S
MW 356.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00372-7 Prostaglandin G/H synthase 1 1
- 10.1016/S0960-894X(97)00372-7 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine