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Compound Detail

CHEMBL35835

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Cc1c(COCC2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL35835
Phase Preclinical
Structure Type MOL
InChI Key OSBKVRQJIIMPNG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

463.8
MW (Da)
7.90
ALogP
3
HBA
0
HBD
27.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25Cl3N2O
MW 463.84
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.13

Activity Summary

Ki 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
Ki 7.0 7.0 100.0 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