enadoline
SMILES | O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1cccc2c1cco2 |
InChIKey | JMBYBVLCYODBJQ-HFMPRLQTSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 396.2 |
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 |
κ | OPRK | Human | Opioid | A | pKi | 9.6 | 9.6 | 9.6 | Guide to Pharmacology |
κ | OPRK | Human | Opioid | A | pKd | 8.6 | 8.9 | 9.2 | Guide to Pharmacology |
μ | OPRM | Rat | Opioid | A | pKi | 7.06 | 7.06 | 7.06 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.66 | 7.66 | 7.66 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.57 | 9.57 | 9.57 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
κ | OPRK | Human | Opioid | A | pKi | 9.57 | 9.57 | 9.57 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.66 | 7.66 | 7.66 | PDSP Ki database |
κ | OPRK | Rat | Opioid | A | pKi | 10.0 | 10.0 | 10.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 8.48 | 8.48 | 8.48 | ChEMBL |