CHEMBL4595175
SMILES | O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2occc12 |
InChIKey | IPYZMPLCYMKLQH-PABBMQRISA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 486.2 |
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 | Mouse | Opioid | A | pKi | 8.3 | 8.3 | 8.3 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pKi | 9.59 | 9.59 | 9.59 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.77 | 7.77 | 7.77 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Mouse | Opioid | A | pEC50 | 7.1 | 8.11 | 9.11 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pIC50 | 7.29 | 7.29 | 7.29 | ChEMBL |