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Compound Detail

CHEMBL343889

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CC(=O)Nc1cc2c(cc1Sc1ccc(F)cc1F)C(=O)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL343889
Phase Preclinical
Structure Type MOL
InChI Key UCPOVVIALHLMED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
4.20
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13F2NO2S
MW 333.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
8523403 10.1021/jm00025a007 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine