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Compound Detail

CHEMBL487317

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CCCCCCCCNC(=O)Oc1cccc(-c2ccccc2)c1

Basic Information

ChEMBL ID CHEMBL487317
Phase Preclinical
Structure Type MOL
InChI Key ZVIQRVAPSQCQGM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
5.80
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.59
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27NO2
MW 325.45
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.50

Activity Summary

IC50 2 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 7.28 7.28 52.5 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18507372 10.1021/jm701631z Fatty-acid amide hydrolase 1 2

Data from ChEMBL 36 via Core Engine