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Compound Detail

CHEMBL44068

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Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL44068
Phase Preclinical
Structure Type MOL
InChI Key IWZVXVSSPAXLLH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
2.39
ALogP
2
HBA
1
HBD
49.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13NO2S
MW 235.31
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.47

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