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Compound Detail

CHEMBL177471

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CCCCCCCC/C=C\CCCCCCCC(=O)c1nc(-c2ccccc2)co1

Basic Information

ChEMBL ID CHEMBL177471
Phase Preclinical
Structure Type MOL
InChI Key KOOKQMBHKMEODJ-KTKRTIGZSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

409.6
MW (Da)
8.56
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.15
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H39NO2
MW 409.61
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.27

Activity Summary

Ki 2 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 6.31 6.31 490.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15771430 10.1021/jm049614v Fatty-acid amide hydrolase 1 1
18053726 10.1016/j.bmc.2007.11.015 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine