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Compound Detail

CHEMBL2165082

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NC(=O)c1ccn(-c2cccc(OC(=O)NC3CCCCC3)c2)c1

Basic Information

ChEMBL ID CHEMBL2165082
Phase Preclinical
Structure Type MOL
InChI Key ZHICKMPQTZIMJO-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
3.00
ALogP
4
HBA
2
HBD
86.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21N3O3
MW 327.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 6.92
Ki 1 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3455
Ki 7.5 7.5 32.0 1
Fatty-acid amide hydrolase 1
CHEMBL3455
IC50 6.92 6.92 120.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22779702 10.1021/jm300689c Fatty-acid amide hydrolase 1 3

Data from ChEMBL 36 via Core Engine