CHEMBL3695243
| SMILES | C[C@@]12CC[C@@H](C[C@@H](n3c(=O)c(C(=O)NCC(=O)O)nc4ccccc43)C1)N2C1CCCCCCC1 |
| InChIKey | VBIAWASWRSQLLT-ASHZAFPQSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 480.3 |
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 |
| δ | OPRD | Human | Opioid | A | pKi | 4.75 | 4.75 | 4.75 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 6.6 | 6.6 | 6.6 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 6.31 | 6.31 | 6.31 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |