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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| XXPRGGSVLVTGC | Methotrexate (MTX) |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00644 |
| Smiles | |
| Inchi Key | InChIKey=VZSHPGXSYPYSRC-HUHBQQKGSA-N |
| Molecular weight | 1627.73 |
| Molecular formula | C68H105N23O20S2 |
| Chemical name | Peptide information |
| Sequence (one letter) | XXPRGGSVLVTGC |
| Length | 13 |
| Peptide name | cIBR peptide (Intercellular adhesion molecule-1 (ICAM-1) fragment), monomer |
| External ID | |
|---|---|
| CAS number | 1393439-71-8 |
| Other information | |
|---|---|
| Application | Anti-inflammatoric therapy, rheumatoid arthritis |
| Additional function | Targeting leukocytes, improve stability and in vivo efficacy |
| Conjugate type | amide |
| Linker | no |
| Small molecule | Methotrexate (MTX) |
| Small molecule CAS | 59-05-2 |
| Small molecule structure | |
| Structure method | NMR |
| Calculated properties | |
|---|---|
| LogP | -8.82184 |
| Rotatable bonds | 45 |
| H bond donor | 22 |
| H bond acceptor | 30 |
| Polar surface area (PSA) | 676.04000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Methotrexate-cIBR conjugate for targeting methotrexate to leukocytes: Conjugate stability and in vivo efficacy in suppressing rheumatoid arthritis | 2012 | Majumdar, Sumit; Anderson, Meagan E.; Xu, Christine R.; Yakovleva, Tatyana V.; Gu, Leo C.; Malefyt, Thomas R.; Siahaan, Teruna J. | Journal of Pharmaceutical Sciences | ||
