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Compound Detail

CHEMBL328734

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CCCCOC[C@@H]1CC=CC[C@H]1COCCCC(=O)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL328734
Phase Preclinical
Structure Type MOL
InChI Key KFBUHNDQDVQDGC-GJZGRUSLSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
4.31
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H27F3O3
MW 336.39
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness -0.01

Activity Summary

IC50 1 meas. best 5.62
Ki 1 meas. best 6.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 6.36 6.36 440.0 1
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 5.62 5.62 2400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10021942 10.1016/s0960-894x(98)00734-3 Fatty-acid amide hydrolase 1 2

Data from ChEMBL 36 via Core Engine