Drug Information

Drug General Information
Drug ID
D03ITH
Former ID
DNC006835
Drug Name
1-(cyclohexyl)methyl-5'-O-tritylinosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528407]
Structure
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2D MOL

3D MOL
Formula
C36H38N4O5
Canonical SMILES
C1CCC(CC1)CN2C=NC3=C(C2=O)N=CN3C4C(C(C(O4)COC(C5=CC=CC=<br />C5)(C6=CC=CC=C6)C7=CC=CC=C7)O)O
InChI
1S/C36H38N4O5/c41-31-29(22-44-36(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28)45-35(32(31)42)40-24-37-30-33(40)38-23-39(34(30)43)21-25-13-5-1-6-14-25/h2-4,7-12,15-20,23-25,29,31-32,35,41-42H,1,5-6,13-14,21-22H2/t29-,31-,32-,35-/m1/s1
InChIKey
CFSSQQKSMHGUJB-QSYCCZFCSA-N
PubChem Compound ID
16082760
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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