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Compound Detail

CHEMBL541244

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O=C(Nc1ccc(-c2ccccc2)cc1)OC1CCCCC1

Basic Information

ChEMBL ID CHEMBL541244
Phase Preclinical
Structure Type MOL
InChI Key SSVRRVRYQFRADL-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
5.23
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.84
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO2
MW 295.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.54

Activity Summary

IC50 2 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 17000.0 nM 4.77 Inhibition of FAAH-mediated anandamide hydrolysis in rat brain membrane 19232787

Literature References

PubMed DOI Target Context # Activities
19232787 10.1016/j.ejmech.2009.01.007 Fatty-acid amide hydrolase 1 2
19232787 10.1016/j.ejmech.2009.01.007 Monoglyceride lipase 1

Data from ChEMBL 36 via Core Engine