CHEMBL469815
SMILES | NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3 |
InChIKey | SYDFANRJNFCVKV-GDKKVTFASA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 3 |
Molecular weight (Da) | 443.2 |
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 | 10.6 | 10.6 | 10.6 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.09 | 9.09 | 9.09 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.29 | 9.29 | 9.29 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pIC50 | 10.1 | 10.1 | 10.1 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 7.55 | 7.55 | 7.55 | ChEMBL |