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Compound Detail

CHEMBL549457

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Cc1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL549457
Phase Preclinical
Structure Type MOL
InChI Key QFISDXAZWNPSID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.66
ALogP
4
HBA
0
HBD
59.9
PSA (Ų)
0.73
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 C18H15FN2O2S
MW 342.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
19523822 10.1016/j.bmcl.2009.02.089 Prostaglandin G/H synthase 1 1
19523822 10.1016/j.bmcl.2009.02.089 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine