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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| XKFW | beta-carboline derivative |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00769 |
| Smiles | |
| Inchi Key | InChIKey=VECAWGKXHIBCTR-KOILXBFDSA-N |
| Molecular weight | 791.401 |
| Molecular formula | C44H53N7O7 |
| Chemical name | Peptide information |
| Sequence (one letter) | XKFW |
| Length | 4 |
| Peptide name | tripeptide |
| External ID | |
|---|---|
| CAS number | 1310735-71-7 |
| Other information | |
|---|---|
| Application | Anti-inflammatoric- and analgesic therapy |
| Additional function | Analgesic activity and protective effect against mesenteric I/R injury in the rat |
| Conjugate type | amide |
| Linker | no |
| Small molecule | beta-carboline derivative |
| Small molecule CAS | 66863-43-2 |
| Small molecule structure | |
| Structure method | 1H-NMR |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | 4.37923 |
| Rotatable bonds | 18 |
| H bond donor | 6 |
| H bond acceptor | 6 |
| Polar surface area (PSA) | 200.74000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Novel β-carboline-tripeptide conjugates attenuate mesenteric ischemia/reperfusion injury in the rat | 2011 | Bi, Wei; Bi, Yue; Xue, Ping; Zhang, Yanrong; Gao, Xiang; Wang, Zhibo; Li, Meng; Baudy-Floc'h, Michele; Ngerebara, Nathaniel; Li, Xiaoxu; Gibson, K. Michael; Bi, Lanrong | European Journal of Medicinal Chemistry | ||
