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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| EEEE | Ibuprofen |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00322 |
| Smiles | |
| Inchi Key | InChIKey=IFGPWXOSPGWPQJ-RTHFNOKISA-N |
| Molecular weight | 1172.54 |
| Molecular formula | C68H76N4O14 |
| Chemical name | Peptide information |
| Sequence (one letter) | EEEE |
| Length | 4 |
| Peptide name | glutamic acid oligopeptide |
| External ID | |
|---|---|
| CAS number | 1966935-14-7 |
| Other information | |
|---|---|
| Application | Synthesis,peptide-NSAID conjugates prodrugs, preliminary studies for hydroxyapatite binding |
| Additional function | Bone targeting drugs delivery |
| Pharmacological class | anti-inflammatoric |
| Conjugate type | amide |
| Linker | no |
| Small molecule | Ibuprofen |
| Small molecule CAS | 15687-27-1 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | 9.63672 |
| Rotatable bonds | 39 |
| H bond donor | 4 |
| H bond acceptor | 9 |
| Polar surface area (PSA) | 247.90000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis and Preliminary Evaluation of Novel Bone-targeting NSAIDs Prodrugs based on Glutamic Acid Oligopeptides | 2015 | Zhao, Yi; He, Dongsheng; Ma, Lifang; Guo, Li | Letters in Drug Design & Discovery | ||
