| BioID | bio2886 |
|---|
| Name | IRBESARTAN |
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| ChEMBL ID | CHEMBL1513 |
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| Molecular Formula | C25H28N6O |
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| Molecular Weight | 428.54 |
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| Molecular Weight (Monoisotopic) | 428.2325 |
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| Type | Small molecule |
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| Max Phase | Phase 4 |
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| Target ID | Tar12 |
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| Target Name | Toll-like receptor 9 (TLR9) |
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| Synonyms | APROVEL|AVAPRO|BMS-186295|IFIRMASTA|IRBESARTAN|IRBESARTAN BMS|IRBESARTAN TEVA|IRBESARTAN ZENTIVA|Karvea|NSC-758696|SABERVEL|SARBEVEL|SR 47436|SR-47436 |
|---|
| Smiles | CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 |
|---|
| Inchi | InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) |
|---|
| Inchi Key | YOSHYTLCDANDAN-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 210.0 |
|---|
| Bioactivities | 1887.0 |
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| Np Likeness Score | -0.74 |
|---|
| Records Key | ['irbesartan', '8', 'Irbesartan', 'Irbesartan', 'Irbesartan', 'SR-47436', '103, irbesartan', 'Irbesartan', 'Irbesartan', '1', 'SR-47436', 'SR-47436', 'Irbesartan', 'SID26719813', '12', '2271', 'IRBESARTAN', 'IRBESARTAN', '21', '90 (Irbesartan)', 'Irbesartan', 'Irbesartan', 'Irbesartan', 'irbesartan', 'IRBESARTAN', 'SID26748950', 'Irbesartan', 'irbesartan', 'SID170464670', 'Irbesartan', 'IRBESARTAN', 'Lrbesartan', 'Irbesartan', '3', '44', 'SID144204986', '119 (irbesartan)', 'Irbesartan', 'Irbesartan', '3 (irbesartan)', '1', 'IRBESARTAN', '5', 'irbesartan', 'irbesartan', 'IRBESARTAN', 'IRBESARTAN', 'IRBESARTAN', '33, SR-47436', '64, Table 2', 'Irbesartan', 'IRBESARTAN', 'IRBESARTAN', 'Irbesartan', 'IRBESARTAN', 'Irbesartan', 'IRBESARTAN', 'SAM001246548', 'Irbesartan', 'IRBESARTAN', 'Irbesartan', '[3H]-Lrbesartan', 'IRBESARTAN', 'IRBESARTAN', 'Irbesartan', 'Irbesartan', 'IRBESARTAN', 'Irbesartan', 'COVC-0136525098', 'Irbesartan', 'EUB0000834a', 'EUB0000834a', 'EUB0000834a', 'IRBESARTAN', '1', 'EUB0000834a', '13', 'irbesartan', 'IRBESARTAN', 'EUB0000834a'] |
|---|
| Records Name | [2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one", "2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one", "2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one", "2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one (Irbesartan)", 'Irbesartan', "2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one", "Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one", 'Irbesartan', "2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one", "2-Butyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one", "2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one", "2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one", 'Irbesartan', 'SID26719813', 'Irbesartan', None, 'IRBESARTAN', 'Irbesartan', "2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one", "2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one", 'Irbesartan', 'Irbesartan', 'Irbesartan', 'irbesartan', 'IRBESARTAN', 'SID26748950', 'Irbesartan', 'irbesartan', 'SID170464670', 'Irbesartan', 'IRBESARTAN', 'Lrbesartan', 'Irbesartan', 'Irbesartan', 'Irbesartan', 'SID144204986', "2-Butyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one (irbesartan)", "2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one (Irbesartan)", 'Irbesartan', "2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one", "2-Butyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.4]non-1-en-4-one", 'IRBESARTAN', 'Irbesartan', 'irbesartan', 'irbesartan', 'IRBESARTAN', 'IRBESARTAN', 'IRBESARTAN', 'Irbesartan', "3-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-butyl-1,3-diazaspiro[4.4]non-1-en-4-one", 'Irbesartan', 'IRBESARTAN', 'IRBESARTAN', 'Irbesartan', 'IRBESARTAN', 'Irbesartan', 'IRBESARTAN', 'C0164916', 'Irbesartan', 'IRBESARTAN', 'Irbesartan', '[3H]-Lrbesartan', 'IRBESARTAN', 'IRBESARTAN', 'Irbesartan', 'Irbesartan', 'IRBESARTAN', 'Irbesartan', 'IRBESARTAN', 'Irbesartan', 'IRBESARTAN', 'IRBESARTAN', 'IRBESARTAN', 'IRBESARTAN', 'Irbesartan', 'IRBESARTAN', 'Irbesartan', 'irbesartan', 'IRBESARTAN', 'IRBESARTAN']" |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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