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Compound Detail

CHEMBL2151433

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C=CCCCN1C[C@@H]([C@@H](C)OCCCCc2ccccc2)C1=O

Basic Information

ChEMBL ID CHEMBL2151433
Phase Preclinical
Structure Type MOL
InChI Key ZBTVTNFEAMZJOY-MJGOQNOKSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.5
MW (Da)
3.84
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29NO2
MW 315.46
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.21

Activity Summary

IC50 2 meas. best 4.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 4.05 4.05 88600.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21899370 10.1021/jm200723m Fatty-acid amide hydrolase 1 2

Data from ChEMBL 36 via Core Engine