Drug Information

Drug General Information
Drug ID
D0I7IA
Former ID
DNC009041
Drug Name
5'-Deoxy-5'-dimethylsulfonioadenosine chloride
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529959]
Structure
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2D MOL

3D MOL
Formula
C12H18ClN5O3S
Canonical SMILES
C[S+](C)CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.[Cl-]
InChI
1S/C12H18N5O3S.ClH/c1-21(2)3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17;/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1/t6-,8-,9-,12-;/m1./s1
InChIKey
UQRXECZPKCIHRJ-OUTCZKRVSA-M
PubChem Compound ID
25231315
Target and Pathway
Target(s) S-adenosylmethioninedecarboxylase proenzyme Target Info Inhibitor [529959]
BioCyc Pathway Methionine salvage cycle III
Spermine biosynthesis
Spermidine biosynthesis
KEGG Pathway Cysteine and methionine metabolism
Arginine and proline metabolism
Metabolic pathways
NetPath Pathway EGFR1 Signaling Pathway
PathWhiz Pathway Spermidine and Spermine Biosynthesis
Methionine Metabolism
WikiPathways Metabolism of amino acids and derivatives
References
Ref 529959J Med Chem. 2009 Mar 12;52(5):1388-407.New insights into the design of inhibitors of human S-adenosylmethionine decarboxylase: studies of adenine C8 substitution in structural analogues of S-adenosylmethionine.
Ref 529959J Med Chem. 2009 Mar 12;52(5):1388-407.New insights into the design of inhibitors of human S-adenosylmethionine decarboxylase: studies of adenine C8 substitution in structural analogues of S-adenosylmethionine.

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