CHEMBL4111803
SMILES | COC(=O)COc1ccc(COC[C@H]2C[C@@]34CC[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(CC2CC2)[C@@H]4C6)cc1 |
InChIKey | IEWGSARMLOQVFC-ASIKSVMXSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 11 |
Molecular weight (Da) | 589.3 |
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 | 6.13 | 6.13 | 6.13 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 6.11 | 6.11 | 6.11 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 7.02 | 7.02 | 7.02 | ChEMBL |