Compound Detail
CHEMBL204391
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Basic Information
| ChEMBL ID | CHEMBL204391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAIQXNZXWNXHSX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
472.8
MW (Da)
6.19
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 6.96 | 6.955 | 110.0 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 110.0 | nM | 6.96 | Binding affinity at the CB1 receptor | 16263284 |
| Cannabinoid receptor 1 | IC50 | = | 112.2 | nM | 6.95 | Antagonist activity against human recombinant cannabinoid-1 receptor | 19406638 |
| Cannabinoid receptor 2 | IC50 | = | 380.0 | nM | 6.42 | 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