| BioID | bio1933 |
|---|
| Name | VIPADENANT |
|---|
| ChEMBL ID | CHEMBL447664 |
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| Molecular Formula | C16H15N7O |
|---|
| Molecular Weight | 321.34 |
|---|
| Molecular Weight (Monoisotopic) | 321.1338 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BIIB-014|BIIB014|CEB-4520|V-2006|V2006|VER-11135|VER-A-00-11|VER-A-00049|VER-A00-11|VER-A00049|VER-ADO-49|VIPADENANT|Vipadenant |
|---|
| Smiles | Cc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N |
|---|
| Inchi | InChI=1S/C16H15N7O/c1-9-7-10(4-5-11(9)17)8-23-15-14(21-22-23)13(19-16(18)20-15)12-3-2-6-24-12/h2-7H,8,17H2,1H3,(H2,18,19,20) |
|---|
| Inchi Key | HQSBCDPYXDGTCL-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 40.0 |
|---|
| Bioactivities | 122.0 |
|---|
| Np Likeness Score | -1.96 |
|---|
| Records Key | ['60, V2006/BIIB014', 'VIPADENANT', 'Vipadenant', 'VIPADENANT', 'VIPADENANT', '42, V2006, BIIB014', 'Vipadenant', 'Vipadenant', 'EUB0000839a', 'EUB0000839a', '1; V-2006', 'V2006', 'EUB0000839a'] |
|---|
| Records Name | ['3-(4-Amino-3-methylbenzyl)-7-(2-furyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine', 'VIPADENANT', 'Vipadenant', 'VIPADENANT', 'VIPADENANT', 'Vipadenant', 'Vipadenant', 'Vipadenant', 'VIPADENANT', 'VIPADENANT', 'Vipadenant', 'Vipadenant', 'VIPADENANT'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
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