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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| XLFX | 4-Amino-7-chloroquinoline |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00713 |
| Smiles | |
| Inchi Key | InChIKey=DVTPVJRHQLRTMG-ONOKEDKKSA-N |
| Molecular weight | 697.303 |
| Molecular formula | C39H44ClN5O5 |
| Chemical name | Peptide information |
| Sequence (one letter) | XLFX |
| Length | 4 |
| Peptide name | dipeptide |
| External ID | |
|---|---|
| CAS number | 1392506-35-2 |
| Other information | |
|---|---|
| Application | Antimicrobial therapy, antimalarial |
| Additional function | Dua action, targeting at blood-stage |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 4-Amino-7-chloroquinoline |
| Small molecule CAS | 1198-40-9 |
| Small molecule structure | |
| Small molecule 2 | (2E)-3-[4-[[(1,1-dimethylethoxy)carbonyl]amino]phenyl]-2-propenoic acid |
| Small molecule CAS 2 | 197073-43-1 |
| Small molecule structure 2 | |
| Structure method | NMR |
| NMR solvent | DMSO-d6 |
| Calculated properties | |
|---|---|
| LogP | 7.52502 |
| Rotatable bonds | 15 |
| H bond donor | 4 |
| H bond acceptor | 6 |
| Polar surface area (PSA) | 138.52000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Novel cinnamic acid/4-aminoquinoline conjugates bearing non-proteinogenic amino acids: Towards the development of potential dual action antimalarials | 2012 | Perez, Bianca C.; Teixeira, Catia; Figueiras, Marta; Gut, Jiri; Rosenthal, Philip J.; Gomes, Jose R. B.; Gomes, Paula | European Journal of Medicinal Chemistry | ||
