CHEMBL4846243
SMILES | C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25 |
InChIKey | HAGBWVNSVWLTKY-ZFWLQQAWSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 1 |
Molecular weight (Da) | 366.2 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 5.08 | 5.09 | 5.1 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.6 | 5.62 | 5.65 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.2 | 6.28 | 6.48 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Mouse | Opioid | A | pIC50 | 5.19 | 5.2 | 5.2 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pIC50 | 5.28 | 5.29 | 5.3 | ChEMBL |
μ | OPRM | Mouse | Opioid | A | pEC50 | 5.28 | 5.29 | 5.3 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pIC50 | 4.02 | 4.02 | 4.02 | ChEMBL |