iGMDRD195

Canonical SMILES: C1=NC2=C(N1)C(=S)N=CN2

InChI: InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

InChI Key: GLVAUDGFNGKCSF-UHFFFAOYSA-N

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Standard Name
CHEMBL
Pubchem CID
KEGG Drug ID
DRUGBANK ID
Drug Status
Drug targets (TTD)
Drug Type
Standard NameMercaptopurine
CHEMBLCHEMBL1425 CHEMBL1200751
Pubchem CID667490
KEGG Drug IDD04931
DRUGBANK IDDB01033
Drug StatusAlone
Drug targets (TTD)DAP000147
Drug TypeSmall Molecule




Drug-model tissue-cancer distribution: Bubble Plot

OTHEtissue: OTHE cancer: OTHER model num: 0OTHERtissue: OTHER cancer: Cancer of Unknown Primary (CUP) model num: 6

Drug-gene pathway enrichments

1smpdb: Mercaptopurine Action Pathway1smpdb: Azathioprine Action Pathway1wikipathways: Methylation Pathways1smpdb: Thioguanine Action Pathway1smpdb: Mercaptopurine Metabolism Pathway1kegg: Drug metabolism - other enzymes - Homo sapiens (human)1pharmgkb: Thiopurine Pathway, Pharmacokinetics/Pharmacodynamics1wikipathways: Metapathway biotransformation Phase I and II1reactome: Diseases of metabolism1reactome: Methylation

Drug-gene GO enrichments

3MF: thiopurine S-methyltransferase activity1CC: cytosol1BP: methylation1BP: nucleobase-containing compound metabolic process1MF: S-adenosyl-L-methionine binding1BP: drug metabolic process

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
7172 TPMT 6
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Gene in drug-gene network: Network Plot

PD-0332991PD-0332991ThioguanineThioguanineCis-PlatinCis-PlatinTPMTTPMTMercaptopurineMercaptopurine

Models in Mercaptopurine

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
BIA-IA(TPMT) gene FDA OTHER Cancer of Unknown Primary (CUP) Mercaptopurine Increased Toxicity (Myelosupression) in vivo
SNV(TPMT A80P) gene FDA OTHER Cancer of Unknown Primary (CUP) Mercaptopurine Increased Toxicity (Myelosupression) in vivo
SNV(TPMT Y240C) gene FDA OTHER Cancer of Unknown Primary (CUP) Mercaptopurine Increased Toxicity (Myelosupression) in vivo
SNV(TPMT A154T) gene FDA OTHER Cancer of Unknown Primary (CUP) Mercaptopurine Increased Toxicity (Myelosupression) in vivo
SNV(TPMT A167G) gene FDA OTHER Cancer of Unknown Primary (CUP) Mercaptopurine Increased Toxicity (Myelosupression) in vivo
SPAV(TPMT) gene FDA OTHER Cancer of Unknown Primary (CUP) Mercaptopurine Increased Toxicity (Myelosupression) in vivo
Showing 1 to 6 of 6 rows

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