iGMDRD431

Canonical SMILES: C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56

InChI: InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2

InChI Key: JAMULYFATHSZJM-UHFFFAOYSA-N

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Standard Name
CHEMBL
Pubchem CID
Drug Status
Drug Type
Standard NameNU-7441
CHEMBLCHEMBL188678
Pubchem CID11327400
Drug StatusAlone
Drug TypeSmall Molecule

Drug Targets:

PRKDC (DNAPK)

Drug Pathways:

Genome integrity

Drug-model tissue-cancer distribution: Bubble Plot

BREAStissue: BREAS cancer: BREAST model num: 0BREASTtissue: BREAST cancer: undefined model num: 7OVARtissue: OVAR cancer: OVARY model num: 0OVARYtissue: OVARY cancer: undefined model num: 1BLOOtissue: BLOO cancer: BLOOD model num: 0BLOODtissue: BLOOD cancer: undefined model num: 1undefinetissue: undefine cancer: undefined model num: 0undefinedtissue: undefined cancer: PANCAN model num: 17SKItissue: SKI cancer: SKIN model num: 0SKINtissue: SKIN cancer: undefined model num: 1UTERUtissue: UTERU cancer: UTERUS model num: 0UTERUStissue: UTERUS cancer: undefined model num: 2LYMPtissue: LYMP cancer: LYMPH model num: 0LYMPHtissue: LYMPH cancer: Diffuse Large B-Cell Lymphoma (DLBCL) model num: 1OTHEtissue: OTHE cancer: OTHER model num: 0OTHERtissue: OTHER cancer: Cancer of Unknown Primary (CUP) model num: 1

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
7514 XPO1 1
9757 KMT2B 1
25937 WWTR1 1
472 ATM 1
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Gene in drug-gene network: Network Plot

AfatnibAfatnibRAB25RAB25cytarabine.hydrochloridecytarabine.hydrochloridePD184352PD184352semagacestatsemagacestatPARP inhibitorsPARP inhibitorsCis-PlatinCis-PlatinERCC1ERCC1BicalutamideBicalutamideSCHEMBL618594SCHEMBL618594CX-5461CX-5461KMT2BKMT2BSL.0101.1SL.0101.1GefitnibGefitnibtensirolimus plus chemotherapytensirolimus plus chemotherapyX17AAGX17AAGall trans Retinoic Acidall trans Retinoic AcidSB590885SB590885TIGARTIGARselumetinib in BRAF mutant tumorsselumetinib in BRAF mutant tumorsRITARITAPIK-75PIK-75BIX01294BIX01294ParthenolideParthenolideNSC95397NSC95397serdemetanserdemetanMerck60Merck60ErlotinibErlotinibVX-680VX-680PHA-665752PHA-665752Nsc 632839Nsc 632839pluripotinpluripotinML214ML214179324-69-7179324-69-7MK-2206MK-2206SCHEMBL2608041SCHEMBL2608041nutlin 3nutlin 3indisulamindisulamMYCNMYCNtipifarnib-P2tipifarnib-P2BI-2536BI-2536GW-843682XGW-843682XAZD-1775AZD-1775PaclitaxelPaclitaxelGSK-461364GSK-461364XL-880XL-880PF 184PF 184XPO1XPO1EEF2EEF2ELCPKELCPKPX 12PX 12IdarubicinIdarubicintivozanibtivozanibparbendazoleparbendazoleSB225002SB225002bistramide Abistramide ALY 2183240LY 2183240gossypolgossypolTW-37TW-37piperlonguminepiperlongumineOlaparibOlaparibLexibulinLexibulinFqi1Fqi1kahalalide Fkahalalide FLCKLCKkinetin ribosidekinetin ribosideSMO inhibitorSMO inhibitorVismodegib (GDC-0449)Vismodegib (GDC-0449)navitoclaxnavitoclaxCIL56CIL56NSC23766NSC23766pevonedistatpevonedistatBRD7137BRD7137ursolic acidursolic acidcurcumincurcuminSMOXSMOXneopeltolideneopeltolideBMS-536924BMS-536924DC-45-A2DC-45-A2isoevodiamineisoevodiamineleucascandrolide Aleucascandrolide ANSC141540NSC141540chaetocinchaetocinSirolimusSirolimusATMATMcytochalasin.Bcytochalasin.BPNU-74654PNU-74654ABT737ABT737BRD6368BRD6368tanespimycintanespimycinPI3K pathway inhibitorsPI3K pathway inhibitorszebularinezebularine4-methylfasudil4-methylfasudilINPP4BINPP4BTTF1TTF1Epigallocatechin-3-monogallateEpigallocatechin-3-monogallateERVK-19ERVK-19KU0060648KU0060648PD0325901PD0325901WWTR1WWTR1EnzalutamideEnzalutamidebrefeldin.Abrefeldin.AARN-509ARN-509sparfosic acidsparfosic acidCompound.23.citrateCompound.23.citrateAndrogenAndrogenFlutamideFlutamidePAC-1PAC-1abirateroneabirateroneAREGAREGPI-103PI-103DactolisibDactolisibAxitinibAxitinibRG108RG108KH-CB19KH-CB19XL765XL765S-Trityl-L-cysteineS-Trityl-L-cysteineIsonicotinohydroxamic acidIsonicotinohydroxamic acidBRD-K09344309BRD-K09344309FQI-2FQI-2RAF1RAF1BMS-754807BMS-754807MST-312MST-312NeratinibNeratinibML162ML162ceruleninceruleninFedratinibFedratinibAACOCF3AACOCF3(-)-gallocatechin-3-O-gallate(-)-gallocatechin-3-O-gallateKDRKDRMEK inhibitorsMEK inhibitorsPertuzumabPertuzumablapatinib in HER2-amplifiedlapatinib in HER2-amplifiedavrainvillamideavrainvillamideoligomycin.Aoligomycin.AERBB3ERBB3NU-7441NU-7441

Models in NU-7441

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
EXP(GSK3ALPHABETA) protein MCLP BREAST undefined NU.7441 sensitivity in vitro
EXP(HER3) protein MCLP BREAST undefined NU.7441 sensitivity in vitro
EXP(ERCC1) protein MCLP BREAST undefined NU.7441 sensitivity in vitro
EXP(TTF1) protein MCLP BREAST undefined NU.7441 resistance in vitro
EXP(ATR_pS428) protein MCLP BREAST undefined NU.7441 resistance in vitro
EXP(CRM1) protein MCLP BREAST undefined NU.7441 resistance in vitro
EXP(JAGGED1) protein MCLP BREAST undefined NU.7441 resistance in vitro
EXP(VEGFR2) protein MCLP OVARY undefined NU.7441 resistance in vitro
EXP(AR) protein MCLP BLOOD undefined NU.7441 sensitivity in vitro
EXP(AKT_pS473) protein MCLP undefined PANCAN NU.7441 resistance in vitro
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