Drug Information

Drug General Information
Drug ID
D03SHX
Former ID
DNC006927
Drug Name
5-iodo,5'-deoxytubercidin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528569]
Structure
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2D MOL

3D MOL
Formula
C11H13IN4O3
Canonical SMILES
CC1C(C(C(O1)N2C=C(C3=C2N=CN=C3N)I)O)O
InChI
1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1
InChIKey
NTXUAWGNGBSCRS-TZQXKBMNSA-N
PubChem Compound ID
9842606
Target and Pathway
Target(s) Adenosine kinase Target Info Inhibitor [528569]
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 528569J Med Chem. 2006 Nov 16;49(23):6726-31.Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes.
Ref 528569J Med Chem. 2006 Nov 16;49(23):6726-31.Crystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes.

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