CHEMBL2205412
SMILES | CN(C(=O)/C=C/c1ccoc1)[C@H]1CC[C@@]2(O)[C@H]3CC4=C(C[C@@H](O)CC4)[C@@]2(CCN3CC2CC2)C1 |
InChIKey | VDNRQMJJQGAIOG-MJICBCHGSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 466.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 8.26 | 8.26 | 8.26 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pKi | 8.06 | 8.06 | 8.06 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 9.35 | 9.35 | 9.35 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |