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Compound Detail

CHEMBL403360

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COc1ccc(CN2CCC(CCCC(=O)c3ncco3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL403360
Phase Preclinical
Structure Type MOL
InChI Key JIZAOQYMDCCYJI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.95
ALogP
5
HBA
0
HBD
55.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N2O3
MW 342.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 130.0 nM 6.89 Inhibition of human FAAH 18289847

Literature References

PubMed DOI Target Context # Activities
18289847 10.1016/j.bmcl.2008.01.091 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine