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Compound Detail

CHEMBL255544

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CC(C)OC(=O)N1CCC(CCCC(=O)c2ncco2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255544
Phase Preclinical
Structure Type MOL
InChI Key BYBOSMMVYKXADB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
3.28
ALogP
5
HBA
0
HBD
72.6
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 C16H24N2O4
MW 308.38
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.45

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
 IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 4.0 nM 8.4 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