Compound Detail
CHEMBL73060
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CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CO)C[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL73060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSBPDCLJSABQNC-HRQSHJORSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
386.6
MW (Da)
6.30
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 9.31 | 9.31 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 0.49 | nM | 9.31 | Binding affinity for the cannabinoid brain receptor (CB1) using [3H]CP-55940 | 9873517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873517 | 10.1016/s0960-894x(98)00385-0 | Mus musculus | 3 |
| 9873517 | 10.1016/s0960-894x(98)00385-0 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine