Bioactive Compound Details
| BioID | bio3313 |
|---|---|
| Name | AUMOLERTINIB MESYLATE |
| ChEMBL ID | CHEMBL5095491 |
| Molecular Formula | C31H39N7O5S |
| Molecular Weight | 621.76 |
| Molecular Weight (Monoisotopic) | 525.2852 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ALMONERTINIB MESYLATE|AUMOLERTINIB MESILATE|AUMOLERTINIB MESYLATE|Ameile|Amerol|HS-10296 mesylate |
| Smiles | C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C4CC4)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.CS(=O)(=O)O |
| Inchi | InChI=1S/C30H35N7O2.CH4O3S/c1-6-29(38)32-24-17-25(28(39-5)18-27(24)36(4)16-15-35(2)3)34-30-31-14-13-23(33-30)22-19-37(20-11-12-20)26-10-8-7-9-21(22)26;1-5(2,3)4/h6-10,13-14,17-20H,1,11-12,15-16H2,2-5H3,(H,32,38)(H,31,33,34);1H3,(H,2,3,4) |
| Inchi Key | WTEXJDGTVUQRQY-UHFFFAOYSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.02 |
| Records Key | ['AUMOLERTINIB MESYLATE'] |
| Records Name | ['AUMOLERTINIB MESYLATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
