| BioID | bio2006 |
|---|
| Name | ALMOTRIPTAN MALATE |
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| ChEMBL ID | CHEMBL1200521 |
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| Molecular Formula | C21H31N3O7S |
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| Molecular Weight | 469.56 |
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| Molecular Weight (Monoisotopic) | 335.1667 |
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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 | ALMOGRAN|ALMOTRIPTAN D,L-HYDROGENMALATE|ALMOTRIPTAN MALATE|ALMOTRIPTAN MALEATE|AXERT|LAS 31416 D,L-MALATE ACID|LAS-31416|LAS-31416 D,L-MALATE ACID|LAS-31416-D,L-MALATE-ACID|PNU-180638E |
|---|
| Smiles | CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.O=C(O)CC(O)C(=O)O |
|---|
| Inchi | InChI=1S/C17H25N3O2S.C4H6O5/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;5-2(4(8)9)1-3(6)7/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3;2,5H,1H2,(H,6,7)(H,8,9) |
|---|
| Inchi Key | QHATUKWEVNMHRY-UHFFFAOYSA-N |
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| Molecular Species | BASE |
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| Targets | 2.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | -1.25 |
|---|
| Records Key | ['ALMOTRIPTAN MALATE', 'ALMOTRIPTAN MALATE (AXERT)', 'ALMOTRIPTAN MALATE', 'Almotriptan malate (Axert)', 'ALMOTRIPTAN MALATE', 'Almotriptan malate (Axert)'] |
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| Records Name | ['ALMOTRIPTAN MALATE', 'ALMOTRIPTAN MALATE (AXERT)', 'ALMOTRIPTAN MALATE', 'Almotriptan malate (Axert)', 'ALMOTRIPTAN MALATE', 'Almotriptan malate (Axert)'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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