CHEMBL5200992
SMILES | CN(C(=O)CCc1ccccc1)[C@@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@@H]1O2 |
InChIKey | FHLUCGJGEKUBEX-LPOYZYTQSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 486.3 |
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 | 7.69 | 7.69 | 7.69 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.48 | 9.48 | 9.48 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.84 | 8.84 | 8.84 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 7.67 | 7.67 | 7.67 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 8.0 | 8.0 | 8.0 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 8.25 | 8.25 | 8.25 | ChEMBL |