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Compound Detail

CHEMBL427424

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O=C(CCc1ccc(OCc2ccccc2)cc1)c1ncc(-c2ccccn2)o1

Basic Information

ChEMBL ID CHEMBL427424
Phase Preclinical
Structure Type MOL
InChI Key GOKPISPQPCIBMS-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
5.13
ALogP
5
HBA
0
HBD
65.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N2O3
MW 384.44
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.71

Activity Summary

Ki 3 meas. best 9.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
Ki 9.35 9.35 0.5 1
Fatty-acid amide hydrolase 1
CHEMBL3229
Ki 8.89 8.89 1.3 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17559203 10.1021/jm061414r Fatty-acid amide hydrolase 1 2
17559203 10.1021/jm061414r Unchecked 2
18247553 10.1021/jm701210y Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine