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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| XFYAX | triazole | Betulonic acid derivative |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00541 |
| Smiles | |
| Inchi Key | InChIKey=ZGQHFINFNJEIOJ-ASCNVQAOSA-N |
| Molecular weight | 1074.68 |
| Molecular formula | C63H90N6O9 |
| Chemical name | Peptide information |
| Sequence (one letter) | XFYAX |
| Length | 5 |
| Peptide name | tripeptide |
| External ID | |
|---|---|
| CAS number | 1471997-81-5 |
| Other information | |
|---|---|
| Application | Anti-inflammatoric therapy |
| Pharmacological class | anti-inflammatoric |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | triazole |
| Small molecule | Betulonic acid derivative |
| Small molecule CAS | 1471997-71-3 |
| Small molecule structure | |
| Structure method | 1H- and 13C-NMR |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | 10.96264 |
| Rotatable bonds | 20 |
| H bond donor | 2 |
| H bond acceptor | 9 |
| Polar surface area (PSA) | 180.28000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Betulonic acid-peptide conjugates: synthesis and evaluation of anti-inflammatory activity | 2013 | Govdi, Anastasiya I.; Vasilevsky, Sergei F.; Sokolova, Nadezhda V.; Sorokina, Irina V.; Tolstikova, Tatyana G.; Nenajdenko, Valentine G. | Mendeleev Communications | ||
