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Compound Detail

CHEMBL171360

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CS(=O)(=O)c1ccc(-c2ocnc2-c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL171360
Phase Preclinical
Structure Type MOL
InChI Key ZFVAHBOTHCIWNL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

317.3
MW (Da)
3.55
ALogP
4
HBA
0
HBD
60.2
PSA (Ų)
0.74
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 C16H12FNO3S
MW 317.34
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00564-A Prostaglandin G/H synthase 1 1
- 10.1016/0960-894X(95)00564-A Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine