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
 |
 |
 |
|
 |
|---|---|---|---|---|
| XVPVPX | Acyclovir (ACV) |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00556 |
| Smiles | |
| Inchi Key | InChIKey=LFGZPFBRFKECEJ-MLCQCVOFSA-N |
| Molecular weight | 717.381 |
| Molecular formula | C33H51N9O9 |
| Chemical name | Peptide information |
| Sequence (one letter) | XVPVPX |
| Length | 6 |
| Peptide name | tetrapeptide |
| External ID | |
|---|---|
| CAS number | 1520867-53-1 |
| Other information | |
|---|---|
| Application | Antimicrobial therapy, antiviral (HSV-1 and 2), prodrug |
| Additional function | Improve activity and water solubility |
| Pharmacological class | antimicrobial, antiviral |
| Conjugate type | amide |
| Linker | no |
| Small molecule | Acyclovir (ACV) |
| Small molecule CAS | 59277-89-3 |
| Small molecule structure | |
| Structure method | 1H NMR |
| Calculated properties | |
|---|---|
| LogP | 0.74698 |
| Rotatable bonds | 15 |
| H bond donor | 5 |
| H bond acceptor | 11 |
| Polar surface area (PSA) | 225.89000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Novel water-soluble prodrugs of acyclovir cleavable by the dipeptidyl-peptidase IV (DPP IV/CD26) enzyme | 2013 | Diez-Torrubia, Alberto; Cabrera, Silvia; de Castro, Sonia; Garcia-Aparicio, Carlos; Mulder, Gwenn; De Meester, Ingrid; Camarasa, Maria-Jose; Balzarini, Jan; Velazquez, Sonsoles | European Journal of Medicinal Chemistry | ||
