(R,R)-TRAMADOL
SMILES | COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1 |
InChIKey | TVYLLZQTGLZFBW-ZBFHGGJFSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 263.2 |
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 |
μ | OPRM | Human | Opioid | A | pKi | 5.62 | 5.62 | 5.62 | ChEMBL |
δ | OPRD | Rat | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
μ | OPRM | Rat | Opioid | A | pKi | 5.67 | 5.67 | 5.67 | PDSP Ki database |
κ | OPRK | Rat | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
μ | OPRM | Human | Opioid | A | pKi | 5.8 | 5.8 | 5.8 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 8.03 | 8.03 | 8.03 | PDSP Ki database |
δ | OPRD | Human | Opioid | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
κ | OPRK | Human | Opioid | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
μ | OPRM | Human | Opioid | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
μ | OPRM | Rat | Opioid | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
κ | OPRK | Human | Opioid | A | pKi | 7.85 | 7.85 | 7.85 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Human | Opioid | A | pIC50 | 5.28 | 5.28 | 5.28 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.0 | 6.0 | 6.0 | ChEMBL |