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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| EEEEE | Ibuprofen |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00321 |
| Smiles | |
| Inchi Key | InChIKey=STBRJDFPTYOOTI-LAXSUYRCSA-N |
| Molecular weight | 1391.63 |
| Molecular formula | C80H89N5O17 |
| Chemical name | Peptide information |
| Sequence (one letter) | EEEEE |
| Length | 5 |
| Peptide name | glutamic acid oligopeptide |
| External ID | |
|---|---|
| CAS number | 1966935-15-8 |
| 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 | 10.61741 |
| Rotatable bonds | 47 |
| H bond donor | 5 |
| H bond acceptor | 11 |
| Polar surface area (PSA) | 303.30000 |
| 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 | ||
