iGMDRD233

Canonical SMILES: COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N

InChI: InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7+,10-/m1/s1

InChI Key: IXOXBSCIXZEQEQ-UHTZMRCNSA-N

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Standard Name
CHEMBL
Pubchem CID
KEGG Drug ID
DRUGBANK ID
Drug Status
Drug targets (TTD)
Drug Type
Standard NameNelarabine
CHEMBLCHEMBL1201112
Pubchem CID3011160
KEGG Drug IDD05134
DRUGBANK IDDB01280
Drug StatusAlone
Drug targets (TTD)DAP000985
Drug TypeSmall Molecule


Drug Targets:

DNAPOLA1 (P09884)

Drug-model tissue-cancer distribution: Bubble Plot

OVARtissue: OVAR cancer: OVARY model num: 0OVARYtissue: OVARY cancer: undefined model num: 1LUNtissue: LUN cancer: LUNG model num: 0LUNGtissue: LUNG cancer: undefined model num: 1BREAStissue: BREAS cancer: BREAST model num: 0BREASTtissue: BREAST cancer: undefined model num: 1undefinetissue: undefine cancer: undefined model num: 0undefinedtissue: undefined cancer: PANCAN model num: 1BLOOtissue: BLOO cancer: BLOOD model num: 0BLOODtissue: BLOOD cancer: T-Cell Acute Lymphoid Leukemia (TALL) model num: 3

Drug-gene pathway enrichments

1smpdb: Xanthinuria type I1smpdb: Xanthinuria type II1smpdb: Adenine phosphoribosyltransferase deficiency (APRT)1smpdb: Thioguanine Action Pathway1smpdb: Mercaptopurine Action Pathway1smpdb: Lesch-Nyhan Syndrome (LNS)1smpdb: Gout or Kelley-Seegmiller Syndrome1smpdb: Azathioprine Action Pathway1smpdb: Mitochondrial DNA depletion syndrome1smpdb: Myoadenylate deaminase deficiency

Drug-gene GO enrichments

2MF: 5'-nucleotidase activity1BP: drug metabolic process1BP: IMP metabolic process1BP: adenosine metabolic process1BP: dephosphorylation1CC: cytosol1BP: purine nucleotide catabolic process1MF: protein binding1MF: metal ion binding1MF: nucleoside phosphotransferase activity

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
22978 NT5C2 3
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Gene in drug-gene network: Network Plot

6-thioguanine6-thioguanine6-mercaptopurine6-mercaptopurineArabinosylguanineArabinosylguanineNT5C2NT5C2NelarabineNelarabine

Models in Nelarabine

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
EXP(CMET_pY1235) protein MCLP OVARY undefined nelarabine resistance in vitro
EXP(TRANSGLUTAMINASE) protein MCLP LUNG undefined nelarabine resistance in vitro
EXP(PKCALPHA) protein MCLP BREAST undefined nelarabine sensitivity in vitro
EXP(HSP27_pS82) protein MCLP undefined PANCAN nelarabine resistance in vitro
SNV(NT5C2 R367Q) gene 23377281 BLOOD T-Cell Acute Lymphoid Leukemia (TALL) Nelarabine resistance or unresponsive in vivo
SNV(NT5C2 D407A) gene 23377281 BLOOD T-Cell Acute Lymphoid Leukemia (TALL) Nelarabine resistance or unresponsive in vivo
SNV(NT5C2 K359Q) gene 23377281 BLOOD T-Cell Acute Lymphoid Leukemia (TALL) Nelarabine resistance or unresponsive in vivo
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