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Compound Detail

CHEMBL229542

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COC(=O)c1ccccc1CCCCCCC(=O)c1ncc(-c2ccccn2)o1

Basic Information

ChEMBL ID CHEMBL229542
Phase Preclinical
Structure Type MOL
InChI Key MEJUZYNOMWOYLT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
4.90
ALogP
6
HBA
0
HBD
82.3
PSA (Ų)
0.28
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 C23H24N2O4
MW 392.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.55

Activity Summary

Ki 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 Ki = 1.0 nM 9.0 Inhibition of rat recombinant FAAH expressed in Escherichia coli 17559203

Literature References

PubMed DOI Target Context # Activities
17559203 10.1021/jm061414r Unchecked 2
17559203 10.1021/jm061414r Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine