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Compound Detail

CHEMBL294650

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CS(=O)(=O)c1ccc(-c2cc3ccccc3cc2-c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL294650
Phase Preclinical
Structure Type MOL
InChI Key CGRVXIOZXUPGRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
5.72
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.46
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 C23H17FO2S
MW 376.45
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
8627608 10.1021/jm950878e Prostaglandin G/H synthase 2 1
8627608 10.1021/jm950878e Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine