Bioactive Compound Details
| BioID | bio2053 |
|---|---|
| Name | BASTADIN 9 |
| ChEMBL ID | CHEMBL414305 |
| Molecular Formula | C34H27Br5N4O9 |
| Molecular Weight | 1035.13 |
| Molecular Weight (Monoisotopic) | 1029.7695 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | Bastadin 9 |
| Smiles | O=C1NCCc2cc(Br)c(O)c(c2)Oc2c(Br)cc(cc2Br)C(O)CNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C/C1=N\O |
| Inchi | InChI=1S/C34H27Br5N4O9/c35-19-5-15-1-2-27(19)51-28-11-17(7-21(37)30(28)45)9-25(43-50)34(48)41-14-26(44)18-12-22(38)32(23(39)13-18)52-29-10-16(6-20(36)31(29)46)3-4-40-33(47)24(8-15)42-49/h1-2,5-7,10-13,26,44-46,49-50H,3-4,8-9,14H2,(H,40,47)(H,41,48)/b42-24+,43-25+ |
| Inchi Key | YUJCERKJBSZPJE-FFVIWPAXSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | None |
| Records Key | ['2'] |
| Records Name | ['Bastadin 9'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
