CHEMBL2179654
SMILES | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OCc2ccccc2)[C@H]1C5 |
InChIKey | YYSCTYIWGJPHIQ-OUDZLNJNSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 536.2 |
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 | 8.75 | 8.75 | 8.75 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.31 | 7.31 | 7.31 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.33 | 8.33 | 8.33 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 7.96 | 7.96 | 7.96 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 6.67 | 6.67 | 6.67 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.52 | 6.52 | 6.52 | ChEMBL |