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Compound Detail

CHEMBL44447

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CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)n2-c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL44447
Phase Preclinical
Structure Type MOL
InChI Key IVKBVCOEPQLLGY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
4.71
ALogP
3
HBA
0
HBD
39.1
PSA (Ų)
0.61
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 C18H13F4NO2S
MW 383.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
9171872 10.1021/jm970036a Prostaglandin G/H synthase 2 1
9171872 10.1021/jm970036a Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine