| BioID | bio2727 |
|---|
| Name | ZALUNFIBAN |
|---|
| ChEMBL ID | CHEMBL3114577 |
|---|
| Molecular Formula | C16H18N8O2S |
|---|
| Molecular Weight | 386.44 |
|---|
| Molecular Weight (Monoisotopic) | 386.1273 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | RUC-4|ZALUNFIBAN |
|---|
| Smiles | NCC(=O)Nc1cncc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)c1 |
|---|
| Inchi | InChI=1S/C16H18N8O2S/c17-7-13(25)20-11-5-10(8-19-9-11)15-22-24-14(26)6-12(21-16(24)27-15)23-3-1-18-2-4-23/h5-6,8-9,18H,1-4,7,17H2,(H,20,25) |
|---|
| Inchi Key | LTVKZVGAALCRFW-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 13.0 |
|---|
| Bioactivities | 26.0 |
|---|
| Np Likeness Score | -2.3 |
|---|
| Records Key | ['11; RUC-4', '13, RUC-4, NCGC00274171', 'ZALUNFIBAN', 'ZALUNFIBAN'] |
|---|
| Records Name | ['2-amino-N-(5-(5-oxo-7-(piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyridin-3-yl)acetamide', '2-Amino-N-(5-(5-oxo-7-(piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyridin-3-yl)acetamide', 'ZALUNFIBAN', 'ZALUNFIBAN'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
