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Compound Detail

CHEMBL181187

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O=C(CCCCCCCCc1ccccc1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL181187
Phase Preclinical
Structure Type MOL
InChI Key XZPJOVOZGDYYDO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
5.09
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.58
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21F3O
MW 286.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.12

Literature References

PubMed DOI Target Context # Activities
15713400 10.1016/j.bmcl.2004.12.085 Fatty-acid amide hydrolase 1 2
15713400 10.1016/j.bmcl.2004.12.085 Unchecked 1
15713400 10.1016/j.bmcl.2004.12.085 Liver carboxylesterase 1 1

Data from ChEMBL 36 via Core Engine