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
 |
 |
 |
|
 |
|---|---|---|---|---|
| XSSGQSP | Deacetylvinblastine |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01478 |
| Smiles | |
| Molecular weight | 1548.78 |
| Molecular formula | C78H108N12O21 |
| Chemical name | Peptide information |
| Sequence (one letter) | XSSGQSP |
| Length | 7 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 474116-71-7 |
| Other information | |
|---|---|
| Application | Antitumor therapy |
| Additional function | Targeting, prostate cancer |
| Pharmacological class | anticancer |
| Conjugate type | ester |
| Linker | no |
| Small molecule | Deacetylvinblastine |
| Small molecule CAS | 3352-69-0 |
| Structure method | RP-HPLC, MS |
| Calculated properties | |
|---|---|
| LogP | -2.71820 |
| Rotatable bonds | 29 |
| H bond donor | 13 |
| H bond acceptor | 21 |
| Polar surface area (PSA) | 464.23000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Design and Synthesis of a Pro-Drug of Vinblastine Targeted at Treatment of Prostate Cancer with Enhanced Efficacy and Reduced Systemic Toxicity | 2002 | Brady, Stephen F.; Pawluczyk, Joseph M.; Lumma, Patricia K.; Feng, Dong-Mei; Wai, Jenny M.; Jones, Raymond; DeFeo-Jones, Deborah; Wong, Bradley K.; Miller-Stein, Cynthia; Lin, Jiunn H.; Oliff, Allen; Freidinger, Roger M.; Garsky, Victor M. | Journal of Medicinal Chemistry | ||
