iGMDRD208


Canonical SMILES: COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

InChI: InChI=1S/C18H15N5O6S2/c1-29-18-17(19-10-11-20-18)22-31(27,28)14-6-2-12(3-7-14)21-15(24)8-4-13-5-9-16(30-13)23(25)26/h2-11H,1H3,(H,19,22)(H,21,24)/b8-4+

InChI Key: FNPPHVLYVGMZMZ-XBXARRHUSA-N

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Standard Name
Pubchem CID
Drug Status
Drug Type
Standard NameNecrosulfonamide
Pubchem CID1566240
Drug StatusAlone
Drug TypeSmall Molecule

Drug-model tissue-cancer distribution: Bubble Plot

LUNtissue: LUN cancer: LUNG model num: 0LUNGtissue: LUNG cancer: undefined model num: 3LIVEtissue: LIVE cancer: LIVER model num: 0LIVERtissue: LIVER cancer: undefined model num: 2undefinetissue: undefine cancer: undefined model num: 0undefinedtissue: undefined cancer: PANCAN model num: 12

Drug-gene pathway enrichments

2wikipathways: Ebola Virus Pathway on Host2reactome: Class I MHC mediated antigen processing & presentation2reactome: Immune System2reactome: Adaptive Immune System2reactome: Signal Transduction2reactome: Signaling by VEGF2reactome: VEGFA-VEGFR2 Pathway2reactome: Metabolism of proteins2reactome: Signaling by Receptor Tyrosine Kinases2reactome: Cross-presentation of soluble exogenous antigens (endosomes)

Drug-gene GO enrichments

10MF: protein binding8CC: nucleus8CC: nucleoplasm5BP: mismatch repair5CC: integral component of plasma membrane5CC: plasma membrane5MF: protein tyrosine kinase activity4MF: ATP binding4BP: positive regulation of isotype switching4MF: transmembrane receptor protein tyrosine kinase activity

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
2956 MSH6 1
8266 UBL4A 2
64783 RBM15 1
6598 SMARCB1 1
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Gene in drug-gene network: Network Plot

PX 12PX 12tipifarnib-P2tipifarnib-P2isoevodiamineisoevodiamineGW-843682XGW-843682XparbendazoleparbendazolenakiterpiosinnakiterpiosinSepantroniumSepantroniumoligomycin.Aoligomycin.ANsc 632839Nsc 632839chaetocinchaetocinpiperlonguminepiperlongumine179324-69-7179324-69-7zebularinezebularineChloropentafluorobenzeneChloropentafluorobenzeneFQI-2FQI-2CHM-1CHM-1RBM15RBM15GW-405833GW-405833serdemetanserdemetanCompound.1541ACompound.1541ALY 2183240LY 2183240GMX1778GMX1778NSC141540NSC141540EZH2 inhibitorEZH2 inhibitorNVP-AUY922NVP-AUY922NSC23766NSC23766triptolidetriptolideSMARCB1SMARCB1IdarubicinIdarubicinBMS-536924BMS-536924quinoclaminequinoclamineVX-680VX-680MSH6MSH6SMER3SMER3BIRB-796BIRB-796importazoleimportazolePL.DIPL.DIAM-580AM-580NilotinibNilotinibfingolimodfingolimodBelinostatBelinostaterastinerastinIrinotecanIrinotecanUGT1A1UGT1A1tacedinalinetacedinalineCAY10618CAY10618BX-795BX-795VeliparibVeliparibLE-135LE-135DasatnibDasatnibAT-406AT-406CCT007093CCT007093AZD-1775AZD-1775PaclitaxelPaclitaxelGSK-461364GSK-461364austocystin.Daustocystin.Ddocetaxel in KRAS mutantdocetaxel in KRAS mutantsemagacestatsemagacestatSTF-31STF-31NSC74859NSC74859AZD7762AZD7762DMOGDMOGIGFBP2IGFBP2BMS-754807BMS-754807OSI-906 (Linsitinib)OSI-906 (Linsitinib)BicalutamideBicalutamideML 210ML 210ML162ML162ruxolitinib (in SH2B3 deleted)ruxolitinib (in SH2B3 deleted)PD-0325901PD-0325901X1S.3R.RSL.3X1S.3R.RSL.3RefametinibRefametinibFCGR1BFCGR1Bselumetinib in BRAF mutant tumorsselumetinib in BRAF mutant tumorsMST-312MST-312NeratinibNeratinibcytochalasin.Bcytochalasin.BPIK-75PIK-75ceruleninceruleninFedratinibFedratinibAACOCF3AACOCF3(-)-gallocatechin-3-O-gallate(-)-gallocatechin-3-O-gallateKDRKDRkinetin ribosidekinetin ribosidenavitoclaxnavitoclaxBRD6368BRD6368Cyanoquinoline, 11Cyanoquinoline, 11avrainvillamideavrainvillamidegossypolgossypolBRD7137BRD7137PAC-1PAC-1TYRO3TYRO3manumycin.Amanumycin.ANSC95397NSC95397PRIMA-1PRIMA-117-AAG17-AAGDabrafenibDabrafenibmethylstatmethylstatBRD-K34222889BRD-K34222889UBL4AUBL4ARITARITAVER 155008VER 155008ABT737ABT737Merck60Merck60SMR000068650SMR000068650TP53BP1TP53BP1necrosulfonamidenecrosulfonamide

Models in Necrosulfonamide

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
EXP(G6PD) protein MCLP LUNG undefined necrosulfonamide sensitivity in vitro
EXP(TRANSGLUTAMINASE) protein MCLP LUNG undefined necrosulfonamide sensitivity in vitro
EXP(SNF5) protein MCLP LUNG undefined necrosulfonamide resistance in vitro
EXP(IGFBP2) protein MCLP LIVER undefined necrosulfonamide sensitivity in vitro
EXP(STAT3_pY705) protein MCLP LIVER undefined necrosulfonamide sensitivity in vitro
EXP(53BP1) protein MCLP undefined PANCAN necrosulfonamide resistance in vitro
EXP(P70S6K) protein MCLP undefined PANCAN necrosulfonamide resistance in vitro
EXP(PKCALPHA) protein MCLP undefined PANCAN necrosulfonamide sensitivity in vitro
EXP(PKCALPHA_pS657) protein MCLP undefined PANCAN necrosulfonamide sensitivity in vitro
EXP(VEGFR2) protein MCLP undefined PANCAN necrosulfonamide sensitivity in vitro
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