AXELOPRAN
SMILES | NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@@H](O)CO)c1 |
InChIKey | ATLYLVPZNWDJBW-KIHHCIJBSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 9 |
Molecular weight (Da) | 457.3 |
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 |
κ | OPRK | Guinea pig | Opioid | A | pKi | 7.0 | 7.72 | 9.9 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKd | 8.8 | 8.8 | 8.8 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.8 | 9.88 | 9.9 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.0 | 7.45 | 8.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |