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Compound Detail

CHEMBL191424

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CCCCCCCC/C=C\CCCCCCC(C)C(=O)c1nc2ncccc2o1

Basic Information

ChEMBL ID CHEMBL191424
Phase Preclinical
Structure Type MOL
InChI Key KWBFRCMMQFKMQT-KHPPLWFESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.6
MW (Da)
7.69
ALogP
4
HBA
0
HBD
56.0
PSA (Ų)
0.17
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H38N2O2
MW 398.59
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.30

Activity Summary

Ki 1 meas. best 8.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
Ki 8.04 8.04 9.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 Ki = 9.1 nM 8.04 Binding affinity for fatty acid amide hydrolase 16078824

Literature References

PubMed DOI Target Context # Activities
16078824 10.1021/jm058183t Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine