CHEMBL4107470
SMILES | COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc3ccccc3s1)C2 |
InChIKey | YFKQYHWQDZXKGP-RIWDBKMTSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 520.2 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.34 | 7.34 | 7.34 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.83 | 6.83 | 6.83 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 6.25 | 6.25 | 6.25 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 6.24 | 6.24 | 6.24 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.3 | 6.3 | 6.3 | ChEMBL |