Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.
3D model is for representation purpose only.
.
.
Schematic representation of peptide, linker and drug in the peptide-drug conjugates
 |
 |
 |
|
 |
|---|---|---|---|---|
| XGFLG | Methotrexate |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01000 |
| Smiles | |
| Molecular weight | 1044.55 |
| Molecular formula | C50H72N14O11 |
| Chemical name | Peptide information |
| Sequence (one letter) | XGFLG |
| Length | 5 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 864282-49-5 |
| Other information | |
|---|---|
| Application | Osteoarthritis |
| Additional function | Synovial fluid viscoelasticity and lubricating effect |
| Pharmacological class | Anti-inflammatory |
| Conjugate type | amide |
| Linker | no |
| Small molecule | Methotrexate |
| Small molecule CAS | 59-05-2 |
| Small molecule structure | |
| Structure method | 1H NMR, HPLC |
| Calculated properties | |
|---|---|
| LogP | -1.63067 |
| Rotatable bonds | 35 |
| H bond donor | 9 |
| H bond acceptor | 18 |
| Polar surface area (PSA) | 361.45000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Novel hyaluronic acid-methotrexate conjugates for osteoarthritis treatment | 2009 | Homma, Akie; Sato, Haruhiko; Okamachi, Akira; Emura, Takashi; Ishizawa, Takenori; Kato, Tatsuya; Matsuura, Tetsu; Sato, Shigeo; Tamura, Tatsuya; Higuchi, Yoshinobu; Watanabe, Tomoyuki; Kitamura, Hidetomo; Asanuma, Kentaro; Yamazaki, Tadao; Ikemi, Masahisa; Kitagawa, Hironoshin; Morikawa, Tadashi; Ikeya, Hitoshi; Maeda, Kazuaki; Takahashi, Koichi; Nohmi, Kenji; Izutani, Noriyuki; Kanda, Makoto; Suzuki, Ryochi | Bioorganic & Medicinal Chemistry | ||
