CHEMBL4649733
SMILES | O=C(CCc1ccccc1)N1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 |
InChIKey | PJCSQJTYHDBALX-AFEGNUHBSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 490.2 |
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 | 8.38 | 8.38 | 8.38 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 7.98 | 7.98 | 7.98 | ChEMBL |