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Compound Detail

CHEMBL467353

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CCCCCCCC/C=C\CCCCCCCC(=O)c1nnc(-c2cccs2)o1

Basic Information

ChEMBL ID CHEMBL467353
Phase Preclinical
Structure Type MOL
InChI Key XBPLQSOZMVICNX-KTKRTIGZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.6
MW (Da)
8.02
ALogP
5
HBA
0
HBD
56.0
PSA (Ų)
0.15
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H36N2O2S
MW 416.63
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.53

Activity Summary

Ki 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 Ki = 8.0 nM 8.1 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