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Compound Detail

CHEMBL402546

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CC(C)(C)CC(=O)N1CCC(CCCC(=O)c2ncco2)CC1

Basic Information

ChEMBL ID CHEMBL402546
Phase Preclinical
Structure Type MOL
InChI Key MNOWNWUWCJPAEA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
3.70
ALogP
4
HBA
0
HBD
63.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H28N2O3
MW 320.43
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.62

Activity Summary

IC50 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 7.05 7.05 90.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 90.0 nM 7.05 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