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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| XSYAX | triazole | betulinic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00299 |
| Smiles | |
| Inchi Key | InChIKey=PCJACOOVUWISGQ-VURQCAGESA-N |
| Molecular weight | 1078.67 |
| Molecular formula | C62H90N6O10 |
| Chemical name | Peptide information |
| Sequence (one letter) | XSYAX |
| Length | 5 |
| Peptide name | azidopeptides |
| External ID | |
|---|---|
| CAS number | 1807860-62-3 |
| Other information | |
|---|---|
| Application | Anti-inflammatoric therapy |
| Additional function | Improve water solubility and selective cytotoxicity |
| Pharmacological class | anti-inflammatoric |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | triazole |
| Small molecule | betulinic acid |
| Small molecule CAS | 472-15-5 |
| Structure method | 1H- 13C NMR |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | 9.43445 |
| Rotatable bonds | 19 |
| H bond donor | 5 |
| H bond acceptor | 11 |
| Polar surface area (PSA) | 214.67000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis of new betulinic acid-peptide conjugates and in vivo and in silico studies of the influence of peptide moieties on the triterpenoid core activity | 2015 | Govdi, Anastasiya I.; Sokolova, Nadezda V.; Sorokina, Irina V.; Baev, Dmitry S.; Tolstikova, Tatyana G.; Mamatyuk, Victor I.; Fadeev, Dmitry S.; Vasilevsky, Sergey F.; Nenajdenko, Valentine G. | MedChemComm | ||
