CHEMBL3695222
| SMILES | NC(=O)[C@H](CO)Nc1nc2ccccc2n([C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O |
| InChIKey | YSTQEMAOTSXQDC-IIZPIQPGSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 467.3 |
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 |
| κ | OPRK | Human | Opioid | A | pKi | 5.27 | 5.27 | 5.27 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 4.92 | 4.92 | 4.92 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 4.53 | 4.53 | 4.53 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |