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Compound Detail

CHEMBL512377

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CCCCCCCC/C=C\CCCCCCC(=O)c1nc2ccncc2o1

Basic Information

ChEMBL ID CHEMBL512377
Phase Preclinical
Structure Type MOL
InChI Key AXNYGFLUPIDENJ-KTKRTIGZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
7.05
ALogP
4
HBA
0
HBD
56.0
PSA (Ų)
0.19
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H34N2O2
MW 370.54
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.14

Activity Summary

Ki 1 meas. best 8.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
Ki 8.43 8.43 3.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 Ki = 3.7 nM 8.43 Inhibition of FAAH 18983142

Literature References

PubMed DOI Target Context # Activities
18983142 10.1021/jm800311k Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine