| BioID | bio198451 |
|---|
| Name | None |
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| ChEMBL ID | CHEMBL336208 |
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| Molecular Formula | C11H18N5O13P3S |
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| Molecular Weight | 553.28 |
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| Molecular Weight (Monoisotopic) | 552.9835 |
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| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | 2-(Methylthio)-Adenosinetriphosphate|2-MeSATP|2-Methylthioadenosine 5'-Triphosphate |
|---|
| Smiles | CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 |
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| Inchi | InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1 |
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| Inchi Key | XNOBOKJVOTYSJV-KQYNXXCUSA-N |
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| Molecular Species | ACID |
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| Targets | 30.0 |
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| Bioactivities | 46.0 |
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| Np Likeness Score | 0.84 |
|---|
| Records Key | ['2-MeSATP', '8b', '1', 'SID26756665', '2', 'SID90340806', '2, MeS-ATP', '6 (2-MeS-ATP)', '6; 2MeSATP', '2-MeSATP'] |
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| Records Name | ['2-MeSATP', 'triPhosphoric acid-[5-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester', Adenosine 5'-triphosphate derivative", 'SID26756665', '[({5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl}methyl phosphonato)oxy](phosphonatooxy)phosphinate', 'SID90340806', "2-methylthioadenosine 5'-triphosphate", '2-(Methylthio)-Adenosinetriphosphate', '((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate', '((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyltriphosphoric acid']" |
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| Withdrawn Flag | False |
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| Orphan | -1 |
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