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Compound Detail

CHEMBL1761296

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CCn1c(=O)n([C@H]2CCCN(c3ccnc(-c4ccc(Cl)cc4)n3)C2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL1761296
Phase Preclinical
Structure Type MOL
InChI Key PCLDJIBOFBMGLK-IBGZPJMESA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.9
MW (Da)
4.77
ALogP
6
HBA
0
HBD
56.0
PSA (Ų)
0.46
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 C24H24ClN5O
MW 433.94
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.54

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 6.8 6.8 160.0 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