Drug Information

Drug General Information
Drug ID
D04GWR
Former ID
DNC003215
Drug Name
FR117016
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551374]
Structure
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2D MOL

3D MOL
Formula
C16H15N7S2
Canonical SMILES
C1=CC=C2C(=C1)NC(=N2)NCC3=CC=C(S3)C4=CSC(=N4)N=C(N)N
InChI
1S/C16H15N7S2/c17-14(18)23-16-22-12(8-24-16)13-6-5-9(25-13)7-19-15-20-10-3-1-2-4-11(10)21-15/h1-6,8H,7H2,(H2,19,20,21)(H4,17,18,22,23)
InChIKey
CKJGKHXCUDWFDC-UHFFFAOYSA-N
PubChem Compound ID
447339
PubChem Substance ID
827484, 3721342, 17183259, 36889527, 46392595, 46505554, 49846732, 50687351, 103302353, 104057012, 104637868, 137220446, 160965795
Target and Pathway
Target(s) Adenosine deaminase Target Info Inhibitor [551374]
BioCyc Pathway Purine nucleotides degradation
Purine deoxyribonucleosides degradation
Purine ribonucleosides degradation to ribose-1-phosphate
Adenosine nucleotides degradation
Superpathway of purine nucleotide salvage
Adenine and adenosine salvage III
KEGG Pathway Purine metabolism
Metabolic pathways
Primary immunodeficiency
NetPath Pathway TCR Signaling Pathway
IL2 Signaling Pathway
PANTHER Pathway Adenine and hypoxanthine salvage pathway
Pathway Interaction Database p73 transcription factor network
C-MYB transcription factor network
Validated transcriptional targets of deltaNp63 isoforms
Validated transcriptional targets of TAp63 isoforms
PathWhiz Pathway Purine Metabolism
Reactome Purine salvage
WikiPathways Metabolism of nucleotides
References
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.

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