Drug General Information
Drug ID
D04JOV
Former ID
DNC002560
Drug Name
MT-Immucillin-H
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551399]
Structure
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2D MOL

3D MOL

Formula
C12H16N4O3S
Canonical SMILES
CSCC1C(C(C(N1)C2=CNC3=C2NC=NC3=O)O)O
InChI
1S/C12H16N4O3S/c1-20-3-6-10(17)11(18)8(16-6)5-2-13-9-7(5)14-4-15-12(9)19/h2,4,6,8,10-11,13,16-18H,3H2,1H3,(H,14,15,19)/t6-,8-,10-,11-/m0/s1
InChIKey
CEGIKIXYDFDYDN-SEZOGAINSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Purine nucleoside phosphorylase Target Info Inhibitor [551399]
BioCyc Pathway Arsenate detoxification I (glutaredoxin)
Purine nucleotides degradation
Urate biosynthesis/inosine 5'-phosphate degradation
Purine deoxyribonucleosides degradation
Purine ribonucleosides degradation to ribose-1-phosphate
Guanosine nucleotides degradation
Adenosine nucleotides degradation
Superpathway of purine nucleotide salvage
Adenine and adenosine salvage III
Guanine and guanosine salvage
KEGG Pathway Purine metabolism
Pyrimidine metabolism
Nicotinate and nicotinamide metabolism
Metabolic pathways
NetPath Pathway TCR Signaling Pathway
EGFR1 Signaling Pathway
PANTHER Pathway Adenine and hypoxanthine salvage pathway
Xanthine and guanine salvage pathway
PathWhiz Pathway Purine Metabolism
Nicotinate and Nicotinamide Metabolism
Reactome Purine salvage
Purine catabolism
WikiPathways miR-targeted genes in squamous cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in leukocytes - TarBase
miR-targeted genes in epithelium - TarBase
Metabolism of nucleotides
References
Ref 551399Plasmodium falciparum purine nucleoside phosphorylase: crystal structures, immucillin inhibitors, and dual catalytic function. J Biol Chem. 2004 Apr 30;279(18):18103-6. Epub 2004 Feb 23.
Ref 551399Plasmodium falciparum purine nucleoside phosphorylase: crystal structures, immucillin inhibitors, and dual catalytic function. J Biol Chem. 2004 Apr 30;279(18):18103-6. Epub 2004 Feb 23.

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