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Compound Detail

CHEMBL1761289

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CCn1c(=O)n([C@H]2CCCN(c3ccnc(-c4cc5ccccc5o4)n3)C2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL1761289
Phase Preclinical
Structure Type MOL
InChI Key HNAXTPUAJURCOW-IBGZPJMESA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
4.87
ALogP
7
HBA
0
HBD
69.1
PSA (Ų)
0.40
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 C26H25N5O2
MW 439.52
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.03

Activity Summary

IC50 2 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 7.52 7.52 30.0 1
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 6.52 6.52 300.0 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