CHEMBL1766023
SMILES | Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1C[C@@H]1CCCO1 |
InChIKey | NSXJCOLJLZPHDA-MMQADKFZSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 383.2 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 7.25 | 7.25 | 7.25 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.08 | 9.08 | 9.08 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.62 | 8.62 | 8.62 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 7.85 | 7.85 | 7.85 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 7.15 | 7.15 | 7.15 | ChEMBL |