Bioactive Compound Details
| BioID | bio2124 |
|---|---|
| Name | ABLUKAST SODIUM |
| ChEMBL ID | CHEMBL2105973 |
| Molecular Formula | C28H33NaO8 |
| Molecular Weight | 520.55 |
| Molecular Weight (Monoisotopic) | 498.2254 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ABLUKAST SODIUM|RO 23-3544/001|RO-233544001 |
| Smiles | CCCc1c(OCCCCCOc2cc3c(cc2C(C)=O)CCC(C(=O)[O-])O3)ccc(C(C)=O)c1O.[Na+] |
| Inchi | InChI=1S/C28H34O8.Na/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33;/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33);/q;+1/p-1 |
| Inchi Key | IQXFQHXFCSOQGI-UHFFFAOYSA-M |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 0.36 |
| Records Key | ['ABLUKAST SODIUM'] |
| Records Name | ['ABLUKAST SODIUM'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
