3D model is for representation purpose only.
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EEEE | Ibuprofen |
Identification | |
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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 | |
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CAS number | 1966935-14-7 |
Other information | |
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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 | |
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LogP | 9.63672 |
Rotatable bonds | 39 |
H bond donor | 4 |
H bond acceptor | 9 |
Polar surface area (PSA) | 247.90000 |
Citations | |||||
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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 |