Compound Detail
CHEMBL1209573
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Basic Information
| ChEMBL ID | CHEMBL1209573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBCRAXXZICHFOK-FQEVSTJZSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
3.93
ALogP
4
HBA
0
HBD
37.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.4
EC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 7.5 | 7.5 | 31.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 3.981 | nM | 8.4 | Displacement of [3H]CP-55940 from human cannabinoid CB2 receptor expressed in in... | 20634067 |
| Cannabinoid receptor 1 | Ki | = | 12.59 | nM | 7.9 | Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in in... | 20634067 |
| Cannabinoid receptor 1 | EC50 | = | 31.62 | nM | 7.5 | Agonist activity at human cannabinoid CB1 receptor expressed in CHO cells after ... | 20634067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20634067 | 10.1016/j.bmcl.2010.06.067 | Cannabinoid receptor 1 | 2 |
| 20634067 | 10.1016/j.bmcl.2010.06.067 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine