cebranopadol
SMILES | Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1 |
InChIKey | CSMVOZKEWSOFER-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 378.2 |
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 | 7.74 | 7.74 | 7.74 | Guide to Pharmacology |
κ | OPRK | Human | Opioid | A | pKi | 8.59 | 8.59 | 8.59 | Guide to Pharmacology |
μ | OPRM | Human | Opioid | A | pKi | 9.15 | 9.15 | 9.15 | Guide to Pharmacology |
NOP | OPRX | Human | Opioid | A | pKi | 9.05 | 9.05 | 9.05 | Guide to Pharmacology |
μ | OPRM | Rat | Opioid | A | pKi | 8.62 | 8.62 | 8.62 | Guide to Pharmacology |
NOP | OPRX | Rat | Opioid | A | pKi | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
κ | OPRK | Rat | Opioid | A | pKi | 7.19 | 7.19 | 7.19 | Guide to Pharmacology |
NOP | OPRX | Human | Opioid | A | pKi | 7.01 | 8.37 | 9.05 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.34 | 8.48 | 9.15 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.59 | 8.59 | 8.59 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NOP | OPRX | Human | Opioid | A | pEC50 | 7.89 | 7.89 | 7.89 | Guide to Pharmacology |
NOP | OPRX | Human | Opioid | A | pEC50 | 7.89 | 7.89 | 7.89 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 8.92 | 8.92 | 8.92 | ChEMBL |