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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| XSKLQX | 4-aminocyclophosphamide prodrug |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00550 |
| Smiles | |
| Inchi Key | InChIKey=SGXCTUOGUWXMEH-IHGXRGNNSA-N |
| Molecular weight | 1089.37 |
| Molecular formula | C46H67Cl3N9O13P |
| Chemical name | Peptide information |
| Sequence (one letter) | XSKLQX |
| Length | 6 |
| Peptide name | tetrapeptide |
| External ID | |
|---|---|
| CAS number | 1486479-08-6 |
| Other information | |
|---|---|
| Application | Anticancer therapy, prostate (prodrug)) |
| Additional function | Selective activation by prostate-specific antigen (PSA) |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 4-aminocyclophosphamide prodrug |
| Small molecule CAS | 1486479-12-2 |
| Small molecule structure | |
| Structure method | 1H- and 13C-NMR |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | 0.88565 |
| Rotatable bonds | 34 |
| H bond donor | 9 |
| H bond acceptor | 10 |
| Polar surface area (PSA) | 315.02000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Peptide conjugates of 4-aminocyclophosphamide as prodrugs of phosphoramide mustard for selective activation by prostate-specific antigen (PSA) | 2013 | Jiang, Yongying; Hu, Longqin | Bioorganic & Medicinal Chemistry | ||
