CHEMBL5273683
SMILES | COc1cccc(C2(O)CCN(C(=O)Cn3ccc4ccccc43)CC2CN(C)C)c1 |
InChIKey | PESYYVDGTBMCFO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 421.2 |
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 |
μ | OPRM | Mouse | Opioid | A | pKi | 7.14 | 7.14 | 7.14 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.93 | 5.93 | 5.93 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.39 | 5.39 | 5.39 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |