CHEMBL108608
SMILES | COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@@]12C/C(=C\c1ccccc1)[C@@H]3c1[nH]c3ccccc3c1C2 |
InChIKey | JLMRSZXETXDEJC-JAFNVPGYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 488.2 |
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 | 7.8 | 7.8 | 7.8 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.46 | 7.46 | 7.46 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 7.37 | 7.37 | 7.37 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 6.49 | 6.49 | 6.49 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 7.35 | 7.35 | 7.35 | ChEMBL |