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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| AIYKYY | 4-amino-α-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01122 |
| Smiles | |
| Molecular weight | 1127.52 |
| Molecular formula | C57H69N13O12 |
| Chemical name | Peptide information |
| Sequence (one letter) | AIYKYY |
| Length | 6 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 957047-39-1 |
| Other information | |
|---|---|
| Application | Antitiumor therapy, kinase inhibition |
| Additional function | improved Src kinase inhibition |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 4-amino-α-methyl-1H-pyrazolo[3,4-d]pyrimidine-1-acetic acid |
| Small molecule CAS | 957047-66-4 |
| Structure method | 1H and 13C NMR, HPLC |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | -0.42248 |
| Rotatable bonds | 29 |
| H bond donor | 13 |
| H bond acceptor | 17 |
| Polar surface area (PSA) | 397.33000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis and evaluation of 3-phenylpyrazolo[3,4-d]pyrimidine-peptide conjugates as Src kinase inhibitors | 2007 | Kumar, Anil; Wang, Yuehao; Lin, Xiaofeng; Sun, Gongqin; Parang, Keykavous | ChemMedChem | ||
