CHEMBL2204027
| SMILES | CC1(C)O[C@H]2N3[C@@H]1O[C@]1(CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]1O7)[C@H]3OC2(C)C |
| InChIKey | VJGIRYDSNADFMS-AKTFNXMJSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 510.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| μ | OPRM | Mouse | Opioid | A | pKi | 8.67 | 8.67 | 8.67 | ChEMBL |
| δ | OPRD | Mouse | Opioid | A | pKi | 7.14 | 7.14 | 7.14 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |