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Compound Detail

CHEMBL40025

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CCCCCCCC/C=C\CCCCCCC(C)C(=O)c1nc2ccccc2o1

Basic Information

ChEMBL ID CHEMBL40025
Phase Preclinical
Structure Type MOL
InChI Key IVWLUOWCOHHTHG-KHPPLWFESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.6
MW (Da)
8.29
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.16
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H39NO2
MW 397.60
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.31

Activity Summary

Ki 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 Ki = 2000.0 nM 5.7 Inhibitory activity against fatty acid amide hydrolase (FAAH) 11412972

Literature References

PubMed DOI Target Context # Activities
11412972 10.1016/s0960-894x(01)00211-6 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine