CHEMBL2048768
SMILES | Oc1ccccc1CNc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 |
InChIKey | ORKGKDBXZFOPEH-DKRHUIDYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 416.3 |
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 | 6.96 | 6.96 | 6.96 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.77 | 8.77 | 8.77 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.77 | 8.77 | 8.77 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 7.33 | 7.33 | 7.33 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 7.42 | 7.42 | 7.42 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 6.09 | 6.09 | 6.09 | ChEMBL |