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Compound Detail

CHEMBL3423116

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NC(=O)c1cc(-c2ccc(OC(=O)NC3CCCCC3)cc2)n(-c2ccccc2)n1

Basic Information

ChEMBL ID CHEMBL3423116
Phase Preclinical
Structure Type MOL
InChI Key JXVSAZGBNAAWGA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
4.06
ALogP
5
HBA
2
HBD
99.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N4O3
MW 404.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 7.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 7.15 7.15 71.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26002335 10.1016/j.ejmech.2015.04.064 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine