CHEMBL5178511
SMILES | O=C(Cc1ccccc1)N[C@@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@@H]1O2 |
InChIKey | OHPZSCSFNDIFCZ-IFJBLKETSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 458.3 |
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 | 9.28 | 9.28 | 9.28 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.71 | 9.71 | 9.71 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.57 | 9.57 | 9.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 8.22 | 8.22 | 8.22 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 8.51 | 8.51 | 8.51 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 8.03 | 8.03 | 8.03 | ChEMBL |