Chembl4596736
Chemical Properties
SMILES | O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2ccsc12 |
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight | 502.2 |
Drug Properties
Type | Small molecule |
Endogenous | No |
Approved | No |
InChIKey | ODTMIQLSFIYVKL-LKAHNZHJSA-N |
Bioactivity
Receptor | Experimental Data | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Mouse | Opioid | A | pKi | 8.79 | 8.79 | 8.79 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pKi | 9.72 | 9.72 | 9.72 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pEC50 | 8.53 | 8.53 | 8.53 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.41 | 7.41 | 7.41 | ChEMBL |