Compound Detail
CHEMBL265787
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CC(=O)Nc1c(C#N)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
Basic Information
| ChEMBL ID | CHEMBL265787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUKAECDVNMFOSF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.8
MW (Da)
6.06
ALogP
5
HBA
1
HBD
87.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 7.46 | 7.455 | 35.0 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 35.0 | nM | 7.46 | Binding affinity at the CB1 receptor | 16263284 |
| Cannabinoid receptor 1 | IC50 | = | 35.48 | nM | 7.45 | Antagonist activity against human recombinant cannabinoid-1 receptor | 19406638 |
| Cannabinoid receptor 2 | IC50 | = | 720.0 | nM | 6.14 | Binding affinity at the CB2 receptor | 16263284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16263284 | 10.1016/j.bmcl.2005.10.028 | Cannabinoid receptor 1 | 1 |
| 16263284 | 10.1016/j.bmcl.2005.10.028 | Cannabinoid receptor 2 | 1 |
| 19406638 | 10.1016/j.bmcl.2009.04.037 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine