Bioactive Compound Details
| BioID | bio2597 |
|---|---|
| Name | ABIVERTINIB MALEATE |
| ChEMBL ID | CHEMBL4297866 |
| Molecular Formula | C30H34FN7O8 |
| Molecular Weight | 639.64 |
| Molecular Weight (Monoisotopic) | 487.2132 |
| Type | Small molecule |
| Max Phase | Phase 3 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | A-610MA|A610MA|ABIVERTINIB MALEATE|ABIVERTINIB MALEATE DIHYDRATE|AC-0010MA|AC0010 MALEATE DIHYDRATE|AC0010MA|ACEA-100610MA|ACEA100610MA|EX-ACEA-0010MA|EX-ACEA0010MA|STI-5656 |
| Smiles | C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)c1.O.O.O=C(O)/C=C\C(=O)O |
| Inchi | InChI=1S/C26H26FN7O2.C4H4O4.2H2O/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34;5-3(6)1-2-4(7)8;;/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32);1-2H,(H,5,6)(H,7,8);2*1H2/b;2-1-;; |
| Inchi Key | QITOONQVTOGMOJ-IUJXYRIYSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.53 |
| Records Key | ['ABIVERTINIB MALEATE', 'ABIVERTINIB MALEATE'] |
| Records Name | ['ABIVERTINIB MALEATE', 'ABIVERTINIB MALEATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
