Bioactive Compound Details
| BioID | bio2186 |
|---|---|
| Name | ELINOGREL POTASSIUM |
| ChEMBL ID | CHEMBL2105641 |
| Molecular Formula | C20H14ClFKN5O5S2 |
| Molecular Weight | 562.05 |
| Molecular Weight (Monoisotopic) | 523.0187 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ELINOGREL POTASSIUM|ELINOGREL POTASSIUM SALT|PRT060128 POTASSIUM|PRT060128-POTASSIUM |
| Smiles | CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)[N-]S(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F.[K+] |
| Inchi | InChI=1S/C20H15ClFN5O5S2.K/c1-23-15-9-14-12(8-13(15)22)18(28)27(20(30)25-14)11-4-2-10(3-5-11)24-19(29)26-34(31,32)17-7-6-16(21)33-17;/h2-9H,1H3,(H4,23,24,25,26,28,29,30);/q;+1/p-1 |
| Inchi Key | PPADHTVWIWCEDE-UHFFFAOYSA-M |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.91 |
| Records Key | ['ELINOGREL POTASSIUM'] |
| Records Name | ['ELINOGREL POTASSIUM'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
