CHEMBL3698810
SMILES | CCOC(=O)C1CN(CCNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C[C@H]1C(=O)OCC |
InChIKey | RBFCZPNZEDDEBO-LILSDYQESA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 621.4 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pKi | 7.51 | 7.51 | 7.51 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 4.17 | 4.17 | 4.17 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.15 | 5.15 | 5.15 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |