Compound Detail
CHEMBL416535
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O=C(c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL416535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCYQSUADYIKPJK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
580.8
MW (Da)
6.88
ALogP
5
HBA
0
HBD
54.3
PSA (Ų)
0.26
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 32.0 | nM | 7.5 | Evaluated for binding affinity towards human Cannabinoid receptor 1 | 14980654 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980654 | 10.1016/j.bmcl.2003.12.068 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine