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Compound Detail

CHEMBL36655

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CCCCCCCC/C=C\CCCCCCC(C)(C)C(=O)c1ncco1

Basic Information

ChEMBL ID CHEMBL36655
Phase Preclinical
Structure Type MOL
InChI Key UIQYHSVDCXHKSQ-QXMHVHEDSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

361.6
MW (Da)
7.53
ALogP
3
HBA
0
HBD
43.1
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 C23H39NO2
MW 361.57
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.54

Activity Summary

Ki 2 meas. best 4.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 4.85 4.85 14200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11412972 10.1016/s0960-894x(01)00211-6 Fatty-acid amide hydrolase 1 1
15771430 10.1021/jm049614v Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine