Compound Detail
CHEMBL1923761
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Basic Information
| ChEMBL ID | CHEMBL1923761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCBJAZCBSUGJLF-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
5.30
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.18
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.22
EC50 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.22 | 7.22 | 60.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3037 | EC50 | 7.11 | 7.11 | 78.4 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 60.0 | nM | 7.22 | Displacement of [3H]CP55940 from human CB1 receptor expressed in human HEK293 ce... | 22044209 |
| Cannabinoid receptor 1 | EC50 | = | 78.4 | nM | 7.11 | Agonist activity at MF1 mouse brain CB1 receptor assessed as induction of [35S]G... | 22044209 |
| Cannabinoid receptor 2 | Ki | = | 1800.0 | nM | 5.75 | Displacement of [3H]CP55940 from human CB2 receptor expressed in human HEK293 ce... | 22044209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22044209 | 10.1021/jm200529h | Cannabinoid receptor 1 | 6 |
| 22044209 | 10.1021/jm200529h | Cannabinoid receptor 2 | 1 |
| 22044209 | 10.1021/jm200529h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine