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Compound Detail

CHEMBL423004

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CS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(C(F)(F)F)c3)CCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL423004
Phase Preclinical
Structure Type MOL
InChI Key KMFSVMARBYQHSN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
5.34
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.67
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16F4O2S
MW 384.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
7473585 10.1021/jm00022a023 Prostaglandin G/H synthase 2 1
7473585 10.1021/jm00022a023 Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine