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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| XAFX | Quinine |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00533 |
| Smiles | |
| Inchi Key | InChIKey=RDPDPNWMWUBYRM-JTKPJKPXSA-N |
| Molecular weight | 676.326 |
| Molecular formula | C40H44N4O6 |
| Chemical name | Peptide information |
| Sequence (one letter) | XAFX |
| Length | 4 |
| Peptide name | dipeptide |
| External ID | |
|---|---|
| CAS number | 1481720-48-2 |
| Other information | |
|---|---|
| Application | Antimicrobial, antiprotozoal, antimalarial |
| Additional function | Efficient syntheses for chirally pure quinine conjugates with amino acids and peptides of varying polarity |
| Pharmacological class | antimicrobial, antiprotozoal |
| Conjugate type | ester |
| Linker | no |
| Small molecule | Quinine |
| Small molecule CAS | 130-95-0 |
| Small molecule structure | |
| Structure method | 1H- and 13C-NMR |
| NMR solvent | CDCl3 or DMSO-d9 |
| Calculated properties | |
|---|---|
| LogP | 5.88164 |
| Rotatable bonds | 15 |
| H bond donor | 2 |
| H bond acceptor | 6 |
| Polar surface area (PSA) | 119.09000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis and Antimalarial Bioassay of Quinine - Peptide Conjugates | 2013 | Panda, Siva S.; Ibrahim, Mohamed A.; Kuecuekbay, Hasan; Meyers, Marvin J.; Sverdrup, Francis M.; El-Feky, Said A.; Katritzky, Alan R. | Chemical Biology & Drug Design | ||
