Drug Information

Drug General Information
Drug ID
D02YYQ
Former ID
DNC007769
Drug Name
5'-deoxy-5'-ureidoadenosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528908]
Structure
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2D MOL

3D MOL
Formula
C11H15N7O4
Canonical SMILES
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CNC(=O)N)O)O
InChI
1S/C11H15N7O4/c12-8-5-9(16-2-15-8)18(3-17-5)10-7(20)6(19)4(22-10)1-14-11(13)21/h2-4,6-7,10,19-20H,1H2,(H2,12,15,16)(H3,13,14,21)/t4-,6-,7-,10-/m1/s1
InChIKey
MRVWQDQRJFAPMW-KQYNXXCUSA-N
PubChem Compound ID
23661679
Target and Pathway
Target(s) Adenosylhomocysteinase Target Info Inhibitor [528908]
BioCyc Pathway Superpathway of methionine degradation
Methionine degradation
Cysteine biosynthesis
KEGG Pathway Cysteine and methionine metabolism
Metabolic pathways
PathWhiz Pathway Selenoamino Acid Metabolism
Betaine Metabolism
Methionine Metabolism
WikiPathways Metabolism of amino acids and derivatives
Trans-sulfuration and one carbon metabolism
One Carbon Metabolism
Trans-sulfuration pathway
Phase II conjugation
Folate Metabolism
References
Ref 528908Bioorg Med Chem Lett. 2007 Aug 15;17(16):4456-9. Epub 2007 Jun 8.Design, synthesis, and molecular modeling studies of 5'-deoxy-5'-ureidoadenosine: 5'-ureido group as multiple hydrogen bonding donor in the active site of S-adenosylhomocysteine hydrolase.
Ref 528908Bioorg Med Chem Lett. 2007 Aug 15;17(16):4456-9. Epub 2007 Jun 8.Design, synthesis, and molecular modeling studies of 5'-deoxy-5'-ureidoadenosine: 5'-ureido group as multiple hydrogen bonding donor in the active site of S-adenosylhomocysteine hydrolase.

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