Drug Information

Drug General Information
Drug ID
D0K1YY
Former ID
DNC014336
Drug Name
6-Benzylthioinosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530903]
Structure
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2D MOL

3D MOL
Formula
C17H18N4O4S
Canonical SMILES
C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O
InChI
1S/C17H18N4O4S/c22-6-11-13(23)14(24)17(25-11)21-9-20-12-15(21)18-8-19-16(12)26-7-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,22-24H,6-7H2
InChIKey
OMJRXFOHHLLDFR-UHFFFAOYSA-N
PubChem Compound ID
95263
Target and Pathway
Target(s) Adenosine kinase Target Info Inhibitor [530903]
BioCyc Pathway Superpathway of purine nucleotide salvage
Adenine and adenosine salvage II
KEGG Pathway Purine metabolism
Metabolic pathways
Reactome Purine salvage
WikiPathways Metabolism of nucleotides
References
Ref 530903Bioorg Med Chem. 2010 May 15;18(10):3403-12. Epub 2010 Apr 8.Structure-activity relationships of carbocyclic 6-benzylthioinosine analogues as subversive substrates of Toxoplasma gondii adenosine kinase.
Ref 530903Bioorg Med Chem. 2010 May 15;18(10):3403-12. Epub 2010 Apr 8.Structure-activity relationships of carbocyclic 6-benzylthioinosine analogues as subversive substrates of Toxoplasma gondii adenosine kinase.

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