Drug Information

Drug General Information
Drug ID
D06BMN
Former ID
DNC006837
Drug Name
1-allyl-5'-O-tritylinosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528407]
Structure
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2D MOL

3D MOL
Formula
C32H30N4O5
Canonical SMILES
C=CCN1C=NC2=C(C1=O)N=CN2C3C(C(C(O3)COC(C4=CC=CC=C4)(C5=<br />CC=CC=C5)C6=CC=CC=C6)O)O
InChI
1S/C32H30N4O5/c1-2-18-35-20-34-29-26(30(35)39)33-21-36(29)31-28(38)27(37)25(41-31)19-40-32(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h2-17,20-21,25,27-28,31,37-38H,1,18-19H2/t25-,27-,28-,31-/m1/s1
InChIKey
WUKAFOPIIOGNJA-QWOIFIOOSA-N
PubChem Compound ID
16082759
Target and Pathway
Target(s) Thymidine phosphorylase Target Info Inhibitor [528407]
BioCyc Pathway Pyrimidine deoxyribonucleosides degradation
KEGG Pathway Pyrimidine metabolism
Drug metabolism - other enzymes
Metabolic pathways
Bladder cancer
NetPath Pathway TSH Signaling Pathway
PathWhiz Pathway Pyrimidine Metabolism
WikiPathways Bladder Cancer
Metabolism of nucleotides
Fluoropyrimidine Activity
References
Ref 528407J Med Chem. 2006 Sep 7;49(18):5562-70.5'-O-tritylinosine and analogues as allosteric inhibitors of human thymidine phosphorylase.
Ref 528407J Med Chem. 2006 Sep 7;49(18):5562-70.5'-O-tritylinosine and analogues as allosteric inhibitors of human thymidine phosphorylase.

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