CHEMBL4061334
SMILES | Oc1ccc2c(c1)C13CCN(CC4CC4)C(C2)C12CCC1C3[C@@H](CN1Cc1ccccc1)C2 |
InChIKey | RMSCVXDJUOMICG-SWBXKLIHSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 440.3 |
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 |
κ | OPRK | Human | Opioid | A | pKi | 8.37 | 8.37 | 8.37 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.46 | 8.46 | 8.46 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 9.23 | 9.23 | 9.23 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 8.35 | 8.35 | 8.35 | ChEMBL |
δ | OPRD | Human | Opioid | A | pEC50 | 9.38 | 9.38 | 9.38 | ChEMBL |