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Compound Detail

CHEMBL232992

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CNC(=O)CCCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL232992
Phase Preclinical
Structure Type MOL
InChI Key UIFLBZNFEYIQKU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
5.22
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.52
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N3O
MW 375.52
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 1700.0 nM 5.77 Inhibition of human FAAH expressed in H4 cells 17459705

Literature References

PubMed DOI Target Context # Activities
17459705 10.1016/j.bmcl.2007.04.009 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine