Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.
3D model is for representation purpose only.
.
.
Schematic representation of peptide, linker and drug in the peptide-drug conjugates
 |
 |
 |
|
 |
|---|---|---|---|---|
| XYQSSSL | Doxorubicin |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01520 |
| Smiles | |
| Molecular weight | 1364.57 |
| Molecular formula | C63H84N10O24 |
| Chemical name | Peptide information |
| Sequence (one letter) | XYQSSSL |
| Length | 7 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 189510-22-3 |
| Other information | |
|---|---|
| Application | Anticancer therapy |
| Additional function | Targeting, prostate cancer |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | no |
| Small molecule | Doxorubicin |
| Small molecule CAS | 23214-92-9 |
| Structure method | RP-HPLC, FT/ICR/MS with ES |
| Calculated properties | |
|---|---|
| LogP | -5.80147 |
| Rotatable bonds | 33 |
| H bond donor | 19 |
| H bond acceptor | 25 |
| Polar surface area (PSA) | 562.88000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
The Synthesis of a Prodrug of Doxorubicin Designed to Provide Reduced Systemic Toxicity and Greater Target Efficacy | 2001 | Garsky, Victor M.; Lumma, Patricia K.; Feng, Dong-Mei; Wai, Jenny; Ramjit, Harri G.; Sardana, Mohinder K.; Oliff, Allen; Jones, Raymond E.; DeFeo-Jones, Deborah; Freidinger, Roger M. | Journal of Medicinal Chemistry | ||
