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Compound Detail

CHEMBL467141

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Cn1nnc(C(=O)CCCCCCc2ccccc2)n1

Basic Information

ChEMBL ID CHEMBL467141
Phase Preclinical
Structure Type MOL
InChI Key LCKMSHQWKSZYBW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
2.59
ALogP
5
HBA
0
HBD
60.7
PSA (Ų)
0.55
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 C15H20N4O
MW 272.35
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.64

Activity Summary

Ki 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 Ki = 10.0 nM 8.0 Inhibition of rat FAAH expressed in Escherichia coli 18630870

Literature References

PubMed DOI Target Context # Activities
18630870 10.1021/jm800136b Fatty-acid amide hydrolase 1 1
26584396 10.1021/acs.jmedchem.5b01627 Diacylglycerol lipase-alpha 1

Data from ChEMBL 36 via Core Engine