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Compound Detail

CHEMBL159210

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

Basic Information

ChEMBL ID CHEMBL159210
Phase Preclinical
Structure Type MOL
InChI Key GEGRTLDEDVSYJS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
3.68
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.83
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 C17H18FNO
MW 271.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.96

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