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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| XNRG | 6-aminohexanoic acid | ibuprofen |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00023 |
| Smiles | |
| Inchi Key | InChIKey=JFZYCFNRCLZWNQ-BMTNDILFSA-N |
| Molecular weight | 645.396 |
| Molecular formula | C31H51N9O6 |
| Chemical name | Peptide information |
| Sequence (one letter) | XNRG |
| Length | 4 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 2375589-19-6 |
| Other information | |
|---|---|
| Application | Anticancer therapy, MCF?7, A2780,, OVCAR3, HT-1-80 and SKOV?3 cells |
| Additional function | Targeting (with NSAID-peptides) and improve binding |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | 6-aminohexanoic acid |
| Small molecule | ibuprofen |
| Small molecule CAS | 15687-27-1 |
| Small molecule structure | |
| Structure method | NMR |
| NMR solvent | DMSO-d6 |
| Calculated properties | |
|---|---|
| LogP | -1.59400 |
| Rotatable bonds | 22 |
| H bond donor | 8 |
| H bond acceptor | 9 |
| Polar surface area (PSA) | 266.98000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Design, synthesis and biological evaluation of peptide-NSAID conjugates for targeted cancer therapy | 2019 | Shokri, Bahareh; Zarghi, Afshin; Shahhoseini, Soraya; Mohammadi, Reza; Kobarfard, Farzad | Archiv der Pharmazie | ||
