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Compound Detail

CHEMBL468357

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O=C(CCCCCCc1ccccc1)c1nnc(-c2cccc(Br)n2)o1

Basic Information

ChEMBL ID CHEMBL468357
Phase Preclinical
Structure Type MOL
InChI Key NORJRMDIONMFOR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.3
MW (Da)
5.27
ALogP
5
HBA
0
HBD
68.9
PSA (Ų)
0.27
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 C20H20BrN3O2
MW 414.30
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.79

Activity Summary

Ki 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 9.1 9.1 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 Ki = 0.8 nM 9.1 Inhibition of rat FAAH expressed in Escherichia coli 18630870

Literature References

PubMed DOI Target Context # Activities
18630870 10.1021/jm800136b Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine