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Compound Detail

CHEMBL36553

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CCCCCc1ccc(-n2nc(C(=O)NN3CCCCC3)c(C)c2-c2ccc(Cl)cc2)cc1

Basic Information

ChEMBL ID CHEMBL36553
Phase Preclinical
Structure Type MOL
InChI Key USVJZVZNSNTLGU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.0
MW (Da)
6.36
ALogP
4
HBA
1
HBD
50.2
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 C27H33ClN4O
MW 465.04
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.06

Activity Summary

Ki 1 meas. best 5.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
Ki 5.87 5.87 1360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11906286 10.1021/jm010267o Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine