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Compound Detail

CHEMBL385268

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Cc1ccc2c(c1)Cc1c(C(=O)Nc3ccccc3)nn(-c3ccc(Cl)cc3Cl)c1-2

Basic Information

ChEMBL ID CHEMBL385268
Phase Preclinical
Structure Type MOL
InChI Key CSLWBVUNYDJLBD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

434.3
MW (Da)
6.31
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17Cl2N3O
MW 434.33
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.60

Activity Summary

Ki 2 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL5373
Ki 7.48 7.48 32.8 1
Cannabinoid receptor 1
CHEMBL3037
Ki 5.62 5.62 2409.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17149879 10.1021/jm060920d Cannabinoid receptor 2 3
17149879 10.1021/jm060920d Cannabinoid receptor 1 1
17149879 10.1021/jm060920d Cannabinoid receptor 1

Data from ChEMBL 36 via Core Engine