Bioactive Compound Details
| BioID | bio2163 |
|---|---|
| Name | ELZASONAN CITRATE |
| ChEMBL ID | CHEMBL3989903 |
| Molecular Formula | C28H31Cl2N3O8S |
| Molecular Weight | 640.54 |
| Molecular Weight (Monoisotopic) | 447.0939 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | CP-448,187-10|CP-448187-10|ELZASONAN CITRATE |
| Smiles | CN1CCN(c2ccccc2/C=C2\SCCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O |
| Inchi | InChI=1S/C22H23Cl2N3OS.C6H8O7/c1-25-8-10-26(11-9-25)20-5-3-2-4-16(20)14-21-22(28)27(12-13-29-21)17-6-7-18(23)19(24)15-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-7,14-15H,8-13H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b21-14-; |
| Inchi Key | FIXQLYVNGQBUAP-UXTSPRGOSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.47 |
| Records Key | ['ELZASONAN CITRATE'] |
| Records Name | ['ELZASONAN CITRATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
