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Compound Detail

CHEMBL2151043

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C=CCCCN1C[C@@H]([C@@H](C)OC(=O)CCCc2ccccc2)C1=O

Basic Information

ChEMBL ID CHEMBL2151043
Phase Preclinical
Structure Type MOL
InChI Key FLORGHJNTGTZHV-AEFFLSMTSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.37
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27NO3
MW 329.44
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.24

Activity Summary

IC50 2 meas. best 4.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 4.08 4.08 82800.0 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