CHEMBL2113383
SMILES | CCN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5 |
InChIKey | KNIJPQOCIDQTJR-DYZJZLFBSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 2 |
Molecular weight (Da) | 401.2 |
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 | 9.14 | 9.14 | 9.14 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.12 | 7.12 | 7.12 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 9.48 | 9.48 | 9.48 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.74 | 6.74 | 6.74 | ChEMBL |