Bioactive Compound Details
| BioID | bio2802 |
|---|---|
| Name | TETRAMETHYLBASTADIN 9 |
| ChEMBL ID | CHEMBL510832 |
| Molecular Formula | C38H35Br5N4O9 |
| Molecular Weight | 1091.24 |
| Molecular Weight (Monoisotopic) | 1085.8321 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | Tetramethylbastadin 9 |
| Smiles | CO/N=C1\Cc2ccc(c(Br)c2)Oc2cc(cc(Br)c2OC)C/C(=N\OC)C(=O)NCC(O)c2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2OC)CCNC1=O |
| Inchi | InChI=1S/C38H35Br5N4O9/c1-51-35-25(41)11-21-13-29(47-54-4)38(50)45-18-30(48)22-16-26(42)34(27(43)17-22)56-33-14-20(10-24(40)36(33)52-2)7-8-44-37(49)28(46-53-3)12-19-5-6-31(23(39)9-19)55-32(35)15-21/h5-6,9-11,14-17,30,48H,7-8,12-13,18H2,1-4H3,(H,44,49)(H,45,50)/b46-28+,47-29+ |
| Inchi Key | YWKQHRQZKLMSJV-NELIPXIQSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | None |
| Records Key | ['6'] |
| Records Name | ['Tetramethylbastadin 9'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
