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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| XVDX | Doxorubicin |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00876 |
| Smiles | |
| Inchi Key | InChIKey=LYVKBYBWMNQDPI-GIZCJOENSA-N |
| Molecular weight | 961.363 |
| Molecular formula | C52H55N3O15 |
| Chemical name | Peptide information |
| Sequence (one letter) | XVDX |
| Length | 4 |
| Peptide name | dipeptide |
| External ID | |
|---|---|
| CAS number | 791111-74-5 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | Increase solubility of drug molecules and/or to allow better formulation properties |
| Conjugate type | amide |
| Linker | no |
| Small molecule | Doxorubicin |
| Small molecule CAS | 23214-92-8 |
| Small molecule structure | |
| Structure method | 1H- and 13C-NMR |
| NMR solvent | DMSO-d6 or acetone-d6 |
| Calculated properties | |
|---|---|
| LogP | 5.21532 |
| Rotatable bonds | 13 |
| H bond donor | 7 |
| H bond acceptor | 14 |
| Polar surface area (PSA) | 267.79000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Application of the Dipeptidyl Peptidase IV (DPPIV/CD26) Based Prodrug Approach to Different Amine-Containing Drugs | 2010 | Diez-Torrubia, Alberto; Garcia-Aparicio, Carlos; Cabrera, Silvia; De Meester, Ingrid; Balzarini, Jan; Camarasa, Maria-Jose; Velazquez, Sonsoles | Journal of Medicinal Chemistry | ||
