Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08TGQ
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| Former ID |
DNC009796
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| Drug Name |
S-tubercidinylhomocysteine
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| Synonyms |
S-tubercidinylhomocysteine; CHEMBL552309; 57344-98-6; AC1L3YAS; AC1Q5QMO; (S)-7-(5-S-(3-amino-3-carboxypropyl)-5-thio-beta-D-ribofuranosyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine; (2s)-2-amino-4-({[(2s,3s,4r,5r)-5-(4-amino-7h-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid(non-preferred name); BDBM50294482; (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
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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 |
C15H21N5O5S
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| Canonical SMILES |
C1=CN(C2=NC=NC(=C21)N)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O
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| InChI |
1S/C15H21N5O5S/c16-8(15(23)24)2-4-26-5-9-10(21)11(22)14(25-9)20-3-1-7-12(17)18-6-19-13(7)20/h1,3,6,8-11,14,21-22H,2,4-5,16H2,(H,23,24)(H2,17,18,19)/t8-,9+,10+,11+,14+/m0/s1
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| InChIKey |
VIRPSVXGKGPXDV-NDXSAKOMSA-N
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| CAS Number |
CAS 57344-98-6
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | DNA [cytosine-5]-methyltransferase (DNMT) | Target Info | Inhibitor | [1] |
| DNA [cytosine-5]-methyltransferase 3B (DNMT3B) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Cysteine and methionine metabolism | |||
| Metabolic pathways | ||||
| MicroRNAs in cancer | ||||
| Reactome | PRC2 methylates histones and DNA | |||
| NoRC negatively regulates rRNA expression | ||||
| DNA methylation | ||||
| WikiPathways | Mesodermal Commitment Pathway | |||
| Endoderm Differentiation | ||||
| Trans-sulfuration and one carbon metabolism | ||||
| One Carbon Metabolism | ||||
| miR-targeted genes in lymphocytes - TarBase | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | SAR around (l)-S-adenosyl-l-homocysteine, an inhibitor of human DNA methyltransferase (DNMT) enzymes. Bioorg Med Chem Lett. 2009 May 15;19(10):2747-51. | |||
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