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Compound Detail

CHEMBL467173

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O=C(CCCCCCc1ccccc1)c1nnc(-c2cccc(Br)n2)s1

Basic Information

ChEMBL ID CHEMBL467173
Phase Preclinical
Structure Type MOL
InChI Key XSJZIEBMRHCMRO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.4
MW (Da)
5.74
ALogP
5
HBA
0
HBD
55.7
PSA (Ų)
0.25
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 C20H20BrN3OS
MW 430.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.82

Activity Summary

Ki 1 meas. best 7.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 7.43 7.43 37.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 Ki = 37.0 nM 7.43 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