| BioID | bio3159 |
|---|
| Name | BALOVAPTAN |
|---|
| ChEMBL ID | CHEMBL4297183 |
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| Molecular Formula | C22H24ClN5O |
|---|
| Molecular Weight | 409.92 |
|---|
| Molecular Weight (Monoisotopic) | 409.1669 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BALOVAPTAN|RG-7314|RG7314|RO-5285119|RO5285119 |
|---|
| Smiles | CN1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1 |
|---|
| Inchi | InChI=1S/C22H24ClN5O/c1-27-13-16-12-17(23)7-10-19(16)28-20(14-27)25-26-22(28)15-5-8-18(9-6-15)29-21-4-2-3-11-24-21/h2-4,7,10-12,15,18H,5-6,8-9,13-14H2,1H3/t15-,18- |
|---|
| Inchi Key | GMPZPHGHNDMRKL-RZDIXWSQSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 46.0 |
|---|
| Np Likeness Score | -1.18 |
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| Records Key | ['BALOVAPTAN', '3; RG7314', '1', 'BALOVAPTAN', '3', '6; RG7314'] |
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| Records Name | ['BALOVAPTAN', 'Balovaptan', '8-chloro-5-methyl-1-[4-(2-pyridyloxy)cyclohexyl]-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine', 'BALOVAPTAN', 'Balovaptan', 'Balovaptan'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
