CHEMBL3698897
SMILES | CN(C(=O)O)[C@@H]1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)C1 |
InChIKey | FXKALKNRYIIAAQ-QPXUXIHVSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 507.3 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 4.14 | 4.14 | 4.14 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.65 | 6.65 | 6.65 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 5.05 | 5.05 | 5.05 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |