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Compound Detail

CHEMBL162300

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COC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL162300
Phase Preclinical
Structure Type MOL
InChI Key CPJBKHZROFMSQM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
3.77
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.78
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 C16H15FO2
MW 258.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.52

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14741265 10.1016/j.bmcl.2003.11.034 Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine