 Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.
                        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.
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 Schematic representation of peptide, linker and drug in the peptide-drug conjugates
                        Schematic representation of peptide, linker and drug in the peptide-drug conjugates
                      
                      |  |  |  |  |  | 
|---|---|---|---|---|
| ANKASYQSSL | Doxorubicin | 
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01522 | 
| Smiles | |
| Molecular weight | 1634.7 | 
| Molecular formula | C74H102N14O28 | 
| Chemical name | Peptide information | 
| Sequence (one letter) | ANKASYQSSL | 
| Length | 10 | 
| Peptide name | N/A | 
| External ID | |
|---|---|
| CAS number | 174640-89-2 | 
| 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 | -8.37405 | 
| Rotatable bonds | 42 | 
| H bond donor | 23 | 
| H bond acceptor | 29 | 
| Polar surface area (PSA) | 693.27000 | 
| 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 | ||