Bioactive Compound Details
| BioID | bio2364 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1076810 |
| Molecular Formula | C34H28Br4N4O8 |
| Molecular Weight | 940.23 |
| Molecular Weight (Monoisotopic) | 935.8641 |
| 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)Oc2ccc(cc2)CCNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2c(Br)cc(cc2Br)C/C1=N\O |
| Inchi | InChI=1S/C34H28Br4N4O8/c35-22-9-18-6-8-40-33(45)26(41-47)13-19-11-24(37)32(25(38)12-19)50-29-16-20(10-23(36)31(29)44)14-27(42-48)34(46)39-7-5-17-1-3-21(4-2-17)49-28(15-18)30(22)43/h1-4,9-12,15-16,43-44,47-48H,5-8,13-14H2,(H,39,46)(H,40,45)/b41-26+,42-27+ |
| Inchi Key | SAZGNQPEAAUAQY-DDTNVXSTSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.23 |
| Records Key | ['10'] |
| Records Name | ['Bastadin-9'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
