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.
.
.
Schematic representation of peptide, linker and drug in the peptide-drug conjugates
 |
 |
 |
|
 |
|---|---|---|---|---|
| XLFX | 4-Amino-7-chloroquinoline |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00701 |
| Smiles | |
| Inchi Key | InChIKey=NVWNISCZAGQTIT-OBPKHPNMSA-N |
| Molecular weight | 627.225 |
| Molecular formula | C34H34ClN5O5 |
| Chemical name | Peptide information |
| Sequence (one letter) | XLFX |
| Length | 4 |
| Peptide name | dipeptide |
| External ID | |
|---|---|
| CAS number | 1392506-22-7 |
| 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 | trans-3-nitrocinnamic acid |
| Small molecule CAS 2 | 1772-76-5 |
| Small molecule structure 2 | |
| Structure method | NMR |
| NMR solvent | DMSO-d6 |
| Calculated properties | |
|---|---|
| LogP | 6.55404 |
| Rotatable bonds | 13 |
| H bond donor | 3 |
| H bond acceptor | 6 |
| Polar surface area (PSA) | 146.01000 |
| 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 | ||
