CHEMBL3264744
SMILES | CC(C)CN1CC[C@@]23c4c5ccc(O)c4OCO[C@]46CC[C@@]2(O[C@H](C(=O)N4Cc2ccccc2)[C@H]63)[C@H]1C5 |
InChIKey | UPAZZKNYLSZQFB-HJGLZJKISA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 502.2 |
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 |
μ | OPRM | Mouse | Opioid | A | pKi | 6.73 | 6.73 | 6.73 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pKi | 8.15 | 8.15 | 8.15 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 6.92 | 6.92 | 6.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 6.85 | 7.33 | 7.81 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 6.12 | 6.3 | 6.48 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.4 | 6.53 | 6.65 | ChEMBL |