CHEMBL610281
SMILES | Oc1ccc2c3c1O[C@H]1[C@@H](I)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 |
InChIKey | XEXVJJBUTPOPFH-LRLHPVAZSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 453.1 |
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 | 8.07 | 8.45 | 8.83 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 8.68 | 8.73 | 8.78 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Guinea pig | Opioid | A | pIC50 | 7.62 | 8.06 | 8.5 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pIC50 | 8.14 | 8.25 | 8.36 | ChEMBL |