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Compound Detail

CHEMBL571724

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C=CCCCC(=O)O[C@H](C)[C@@H]1CN(C(=O)CCC=C)C1=O

Basic Information

ChEMBL ID CHEMBL571724
Phase Preclinical
Structure Type MOL
InChI Key CKWXNKGISRYRSO-OLZOCXBDSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
2.23
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23NO4
MW 293.36
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.42

Activity Summary

IC50 4 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 7.5 7.5 31.6 2
Monoglyceride lipase
CHEMBL4191
IC50 5.73 5.53 1862.1 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19877691 10.1021/jm9008532 Monoglyceride lipase 3
19877691 10.1021/jm9008532 Fatty-acid amide hydrolase 1 2

Data from ChEMBL 36 via Core Engine