| CAS ID: | 36531-78-9 |
| Molecular Formula: | C29H38N2O3 |
| Molecular Weight: | 462.6 g/mol |
| Monoisotopic Mass: | 462.2882 g/mol |
| Class: | Small Molecule |
| Natural Product: | Yes |
| Other Names: | Ikarugamycin |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C29H38N2O3/c1-3-20-17(2)14-24-22(20)10-11-23-21-7-4-8-28(33)30-13-5-6-19-16-26(29(34)31-19)27(32)12-9-18(21)15-25(23)24/h4,8-12,16-25H,3,5-7,13-15H2,1-2H3,(H,30,33)(H,31,34)/b8-4-,12-9+/t17-,18-,19+,20-,21+,22+,23-,24+,25-/m1/s1 | See All |
| InChI Key: | HFONJXJKTUSLBV-ZLIIHNGASA-N | |
| Smiles: | CC[C@@H]1[C@H](C)C[C@@H]2[C@@H]3C[C@H]4\C=C\C(=O)C5=C[C@H](CCCNC(=O)\C=C/C[C@@H]4[C@H]3C=C[C@@H]12)NC5=O | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 27286825 | Target ID | |
| Uniprot ID | Name | ||
| Model | vitro | Fibrosis Disease | Cystic fibrosis |
| Process I | attenue inflammation | ||
| Process II | |||
| Process III | |||
| Mechanism | Targeting A20 | ||
| PubChem: | 44450670 |
| ChEMBL: | CHEMBL260361 |