CHEMBL569448
SMILES | Oc1cc2c(cc1CNCCCCCCCCNCc1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1 |
InChIKey | VUWAZZFVFHGBNI-SPKNWQAQSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 17 |
Molecular weight (Da) | 790.6 |
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 | 6.0 | 6.0 | 6.0 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |