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Compound Detail

CHEMBL227253

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O=C(CCCCCCc1ccccc1Cl)c1ncc(-c2ccccn2)o1

Basic Information

ChEMBL ID CHEMBL227253
Phase Preclinical
Structure Type MOL
InChI Key RGBFZMIPBWNGPE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.9
MW (Da)
5.77
ALogP
4
HBA
0
HBD
56.0
PSA (Ų)
0.36
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 C21H21ClN2O2
MW 368.86
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.91

Activity Summary

Ki 1 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 8.72 8.72 1.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 Ki = 1.9 nM 8.72 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