| BioID | bio2786 |
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| Name | REGADENOSON ANHYDROUS |
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| ChEMBL ID | CHEMBL317052 |
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| Molecular Formula | C15H18N8O5 |
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| Molecular Weight | 390.36 |
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| Molecular Weight (Monoisotopic) | 390.14 |
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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 | Lexiscan|REGADENOSON ANHYDROUS |
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| Smiles | CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 |
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| Inchi | InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1 |
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| Inchi Key | LZPZPHGJDAGEJZ-AKAIJSEGSA-N |
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| Molecular Species | NEUTRAL |
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| Targets | 34.0 |
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| Bioactivities | 65.0 |
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| Np Likeness Score | -0.15 |
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| Records Key | ['10', '10, CVT-3146, regadenoson, Lexiscan', 'SID170465244', 'Regadenoson', 'REGADENOSON', 'REGADENOSON', 'REGADENOSON ANHYDROUS', '3a', '5, CV-3146', 'regadenoson', '3', '19, CVT3146', 'Regadenoson', 'COVC-2282653931', 'regadenoson'] |
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| Records Name | ['1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid methylamide', '1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-purin-2-yl]-N-methylpyrazole-4-carboxamide', 'SID170465244', 'Regadenoson', 'REGADENOSON', 'REGADENOSON', 'REGADENOSON ANHYDROUS', '1-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid methylamide', 'Regadenoson', 'regadenoson', 'Regadenoson; Lexiscan(TM), 2-[N-1-(4-N-methylcarboxamidopyrazolyl)]adenosine', 'Regadenoson', 'Regadenoson', 'REGADENOSON', 'regadenoson'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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