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Compound Detail

CHEMBL303891

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CS(=O)(=O)c1ccc(-c2[nH]ncc2-c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL303891
Phase Preclinical
Structure Type MOL
InChI Key KHTNQBAMMAFKQW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.29
ALogP
3
HBA
1
HBD
62.8
PSA (Ų)
0.81
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 C16H13FN2O2S
MW 316.36
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00372-7 Prostaglandin G/H synthase 1 1
- 10.1016/S0960-894X(97)00372-7 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine