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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| CLLL | Irofulven derivative |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01544 |
| Smiles | |
| Inchi Key | InChIKey=MTIZCUWNLDBFAH-UHFFFAOYSA-N |
| Molecular weight | 730.398 |
| Molecular formula | C38H58N4O8S |
| Chemical name | Peptide information |
| Sequence (one letter) | CLLL |
| Length | 4 |
| Peptide name | tetrapeptide |
| External ID | |
|---|---|
| CAS number | 303956-67-4 |
| Other information | |
|---|---|
| Application | Anticancer therapy, alkylating agent |
| Additional function | Improve selectivity and decrase toxicity |
| Pharmacological class | anticancer |
| Conjugate type | sulfide |
| Linker | no |
| Small molecule | Irofulven derivative |
| Small molecule CAS | 158440-71-2 |
| Structure method | 1H and 13C NMR |
| NMR solvent | CD3OD |
| Calculated properties | |
|---|---|
| LogP | 2.91546 |
| Rotatable bonds | 18 |
| H bond donor | 6 |
| H bond acceptor | 8 |
| Polar surface area (PSA) | 191.00000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Preparation and biological activity of amino acid and peptide conjugates of antitumor hydroxymethylacylfulvene | 2000 | McMorris, Trevor C.; Yu, Jian; Ngo, Huan-Tony; Wang, Haixia; Kelner, Michael J. | Journal of Medicinal Chemistry | ||
