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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| IELLQARGGCGGRRRRRRRR | Pemetrexed |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00738 |
| Smiles | |
| Inchi Key | InChIKey=DQTFMHCTONDDJZ-IHQWPYIGSA-N |
| Molecular weight | 2915.6 |
| Molecular formula | C120H206N54O30S |
| Chemical name | Peptide information |
| Sequence (one letter) | IELLQARGGCGGRRRRRRRR |
| Length | 20 |
| Peptide name | cell-penetrating octaarginine and lung-targeting peptide |
| External ID | |
|---|---|
| CAS number | 1350616-76-0 |
| Other information | |
|---|---|
| Application | Anticancer therapy, NCI-H358 and HL-60 cells |
| Additional function | Improve specificity and lung targeting |
| Conjugate type | sulfide |
| Linker | no |
| Small molecule | Pemetrexed |
| Small molecule CAS | 137281-23-3 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | -18.39852 |
| Rotatable bonds | 103 |
| H bond donor | 50 |
| H bond acceptor | 58 |
| Polar surface area (PSA) | 1437.55000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
New pemetrexed-peptide conjugates: synthesis, characterization and in vitro cytostatic effect on non-small cell lung carcinoma (NCI-H358) and human leukemia (HL-60) cells | 2011 | Miklan, Zsanett; Orban, Erika; Banoczi, Zoltan; Hudecz, Ferenc | Journal of Peptide Science | ||
