| BioID | bio2711 |
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| Name | TIROFIBAN |
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| ChEMBL ID | CHEMBL916 |
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| Molecular Formula | C22H36N2O5S |
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| Molecular Weight | 440.61 |
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| Molecular Weight (Monoisotopic) | 440.2345 |
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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 | AGRASTAT|Aggrastat|L-700462|MK-383|TIROFIBAN|Tirofiban |
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| Smiles | CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O |
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| Inchi | InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 |
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| Inchi Key | COKMIXFXJJXBQG-NRFANRHFSA-N |
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| Molecular Species | ZWITTERION |
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| Targets | 54.0 |
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| Bioactivities | 150.0 |
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| Np Likeness Score | -0.39 |
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| Records Key | ['2, (L-700462)', '25', '8', '1', '1', '23m', '2', 'tirofiban', '6', 'Tirofiban', '2', 'MK-383 (Tirofiban)', 'Tirofiban', '354', 'Tirofiban', 'Tirofiban', 'Tirofiban', 'TIROFIBAN', 'Tirofiban', 'Tirofiban', 'Tirofiban', 'Tirofiban', '17', 'TIROFIBAN', '31', 'tirofiban', 'tirofiban', 'tirofiban', 'Tirofiban', 'Tirofiban', '3', '51', 'Tirofiban', 'Tirofiban_HCL monohydrate', 'Tirofiban', '34', 'tirofiban'] |
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| Records Name | ['(S)-2-(Butane-1-sulfonylamino)-3-[4-(4-piperidin-4-yl-butoxy)-phenyl]-propionic acid', '(S)-2-(Butane-1-sulfonylamino)-3-[4-(4-piperidin-4-yl-butoxy)-phenyl]-propionic acid', '(S)-2-(Butane-1-sulfonylamino)-3-[4-(4-piperidin-4-yl-butoxy)-phenyl]-propionic acid', '(S)-2-(Butane-1-sulfonylamino)-3-[4-(4-piperidin-4-yl-butoxy)-phenyl]-propionic acid', '(S)-2-(Butane-1-sulfonylamino)-3-[4-(4-piperidin-4-yl-butoxy)-phenyl]-propionic acid', '(S)-2-(Butane-1-sulfonylamino)-3-[4-(4-piperidin-4-yl-butoxy)-phenyl]-propionic acid', '(S)-2-(Butane-1-sulfonylamino)-3-[4-(4-piperidin-4-yl-butoxy)-phenyl]-propionic acid', 'tirofiban', 'tirofiban', 'Tirofiban', '(S)-2-(Butane-1-sulfonylamino)-3-[4-(4-piperidin-4-yl-butoxy)-phenyl]-propionic acid', '2-(Butane-1-sulfonylamino)-3-[4-(4-piperidin-4-yl-butoxy)-phenyl]-propionic acid (MK383 (Tirofiban))', 'Tirofiban', 'Tirofiban', 'Tirofiban', 'Tirofiban', 'Tirofiban', 'TIROFIBAN', 'Tirofiban', 'Tirofiban', 'Tirofiban', 'Tirofiban', '2-(Butane-1-sulfonylamino)-3-[4-(4-piperidin-4-yl-butoxy)-phenyl]-propionic acid', 'TIROFIBAN', 'Tirofiban', 'tirofiban', 'tirofiban', 'tirofiban', 'Tirofiban', 'Tirofiban', 'Tirofiban', 'Tirofiban', 'Tirofiban', 'Tirofiban_HCL monohydrate', 'Tirofiban', 'Tirofiban', 'tirofiban'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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