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Compound Detail

CHEMBL1761283

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CCn1c(=O)n(C2CCCN(c3nccc(-c4cc5ccccc5o4)n3)C2)c2ncccc21

Basic Information

ChEMBL ID CHEMBL1761283
Phase Preclinical
Structure Type MOL
InChI Key IDXXQXPYKNNTDF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
4.26
ALogP
8
HBA
0
HBD
82.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N6O2
MW 440.51
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21392988 10.1016/j.bmcl.2011.02.052 Fatty-acid amide hydrolase 1 2

Data from ChEMBL 36 via Core Engine