CHEMBL515864
SMILES | O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1 |
InChIKey | XQWZTPWKACKUMJ-FSTJURTJSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 447.2 |
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 | 6.73 | 6.73 | 6.73 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.71 | 7.71 | 7.71 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.32 | 9.32 | 9.32 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Human | Opioid | A | pEC50 | 8.9 | 8.9 | 8.9 | ChEMBL |