Drug Information

Drug General Information
Drug ID
D04OWX
Former ID
DNC006836
Drug Name
1-(cyclopropyl)methyl-5'-O-tritylinosine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528407]
Structure
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2D MOL

3D MOL
Formula
C33H32N4O5
Canonical SMILES
C1CC1CN2C=NC3=C(C2=O)N=CN3C4C(C(C(O4)COC(C5=CC=CC=C5)(C<br />6=CC=CC=C6)C7=CC=CC=C7)O)O
InChI
1S/C33H32N4O5/c38-28-26(42-32(29(28)39)37-21-34-27-30(37)35-20-36(31(27)40)18-22-16-17-22)19-41-33(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,20-22,26,28-29,32,38-39H,16-19H2/t26-,28-,29-,32-/m1/s1
InChIKey
UTXUWUTZGDAURC-DWCTZGTLSA-N
PubChem Compound ID
16082776
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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