Compound Detail
CHEMBL389693
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O=C(Nc1ccc(Cl)c(Cl)c1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCc1cc(Cl)ccc1-2
Basic Information
| ChEMBL ID | CHEMBL389693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPIOLXNWOLQQSG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
551.7
MW (Da)
8.55
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.28
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3037 | Ki | 7.59 | 7.59 | 25.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 25.83 | nM | 7.59 | Displacement of [3H]CP-55940 from CB1 receptor in CD1 mouse brain | 16279795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279795 | 10.1021/jm050317f | Cannabinoid receptor 1 | 1 |
| 16279795 | 10.1021/jm050317f | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine