Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0AU4H
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| Former ID |
DNC002950
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| Drug Name |
Thiamin Diphosphate
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| Synonyms |
thiamin diphosphate; thiamine diphosphate; thiamin pyrophosphate; AC1O7464; [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-oxidophosphoryl] hydrogen phosphate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C12H19N4O7P2S+
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| Canonical SMILES |
CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O
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| InChI |
1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
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| InChIKey |
AYEKOFBPNLCAJY-UHFFFAOYSA-O
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| CAS Number |
CAS 136-08-3
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:9532
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Human Deoxyribonucleic acid (hDNA) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
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