| BioID | bio2635 |
|---|
| Name | ELINOGREL |
|---|
| ChEMBL ID | CHEMBL2103828 |
|---|
| Molecular Formula | C20H15ClFN5O5S2 |
|---|
| Molecular Weight | 523.96 |
|---|
| Molecular Weight (Monoisotopic) | 523.0187 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ELINOGREL|Elinogrel|PRT 060128|PRT-060128|PRT060128 |
|---|
| Smiles | CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2cc1F |
|---|
| Inchi | InChI=1S/C20H15ClFN5O5S2/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/h2-9,23H,1H3,(H,25,30)(H2,24,26,29) |
|---|
| Inchi Key | LGSDFTPAICUONK-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 34.0 |
|---|
| Bioactivities | 81.0 |
|---|
| Np Likeness Score | -1.91 |
|---|
| Records Key | ['ELINOGREL', 'Elinogrel', '2, PRT-128', 'ELINOGREL', 'elinogrel', '4842', 'ELINOGREL', 'elinogrel', 'elinogrel', 'EUB0000481a', 'EUB0000481a', '63', 'EUB0000481a', '7'] |
|---|
| Records Name | ['ELINOGREL', 'Elinogrel', 'Elinogrel', 'ELINOGREL', 'elinogrel', None, 'ELINOGREL', 'elinogrel', 'elinogrel', 'ELINOGREL', 'ELINOGREL', '5-chloro-N-((4-(6-fluoro-7-(methylamino)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)phenyl)carbamoyl)thiophene-2-sulfonamide', 'ELINOGREL', 'Elinogrel'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
