Drug General Information
Drug ID
D0S4BK
Former ID
DNC007867
Drug Name
Tiazofurin adenine dinucleotide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529172]
Structure
Download
2D MOL

3D MOL

Formula
C19H25N7O14P2S
Canonical SMILES
C1=C(N=C(S1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)<br />N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=O)N
InChI
1S/C19H25N7O14P2S/c20-15-9-17(23-4-22-15)26(5-24-9)19-13(30)11(28)8(39-19)2-37-42(34,35)40-41(32,33)36-1-7-10(27)12(29)14(38-7)18-25-6(3-43-18)16(21)31/h3-5,7-8,10-14,19,27-30H,1-2H2,(H2,21,31)(H,32,33)(H,34,35)(H2,20,22,23)/t7-,8-,10-,11-,12-,13-,14-,19-/m1/s1
InChIKey
INQLNSVYIFCUML-QZTLEVGFSA-N
PubChem Compound ID
Target and Pathway
Target(s) Inosine-5'-monophosphate dehydrogenase 2 Target Info Inhibitor [529172]
Inosine-5'-monophosphate dehydrogenase 1 Target Info Inhibitor [529172]
BioCyc Pathway Purine nucleotides degradation
Urate biosynthesis/inosine 5'-phosphate degradation
Guanosine nucleotides de novo biosynthesis
Superpathway of purine nucleotide salvage
Purine nucleotides de novo biosynthesis
Guanosine ribonucleotides de novo biosynthesisPWY-6353:Purine nucleotides degradation
Guanosine ribonucleotides de novo biosynthesis
KEGG Pathway Purine metabolism
Drug metabolism - other enzymes
Metabolic pathwayshsa00230:Purine metabolism
Metabolic pathways
PANTHER Pathway De novo purine biosynthesis
PathWhiz Pathway Purine Metabolism
Reactome Purine ribonucleoside monophosphate biosynthesisR-HSA-73817:Purine ribonucleoside monophosphate biosynthesis
WikiPathways Nucleotide Metabolism
References
Ref 529172J Med Chem. 2007 Dec 27;50(26):6685-91. Epub 2007 Nov 27.Dual inhibitors of inosine monophosphate dehydrogenase and histone deacetylases for cancer treatment.
Ref 529172J Med Chem. 2007 Dec 27;50(26):6685-91. Epub 2007 Nov 27.Dual inhibitors of inosine monophosphate dehydrogenase and histone deacetylases for cancer treatment.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.