CHEMBL3339374
SMILES | O=C(C[C@H]1N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5)NCc1ccccc1 |
InChIKey | KOJNFNUNONTHEO-WHGNQHRDSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 6 |
Molecular weight (Da) | 501.3 |
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 | 10.28 | 10.28 | 10.28 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pKi | 9.82 | 9.82 | 9.82 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 10.43 | 10.43 | 10.43 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |