iGMDRD504


Canonical SMILES: CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C

InChI: InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21,23H,1-3H3/b18-17?,19-10-

InChI Key: CVCLJVVBHYOXDC-WQFBLXOWSA-N

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Standard Name
Pubchem CID
Drug Status
Drug Type
Standard NameObatoclax
Pubchem CID66751300
Drug StatusAlone
Drug TypeSmall Molecule


Drug Pathways:

Apoptosis regulation

Drug-model tissue-cancer distribution: Bubble Plot

BREAStissue: BREAS cancer: BREAST model num: 0BREASTtissue: BREAST cancer: undefined model num: 1BLOOtissue: BLOO cancer: BLOOD model num: 0BLOODtissue: BLOOD cancer: undefined model num: 2undefinetissue: undefine cancer: undefined model num: 0undefinedtissue: undefined cancer: PANCAN model num: 35LUNtissue: LUN cancer: LUNG model num: 0LUNGtissue: LUNG cancer: undefined model num: 1BOWEtissue: BOWE cancer: BOWEL model num: 0BOWELtissue: BOWEL cancer: undefined model num: 1SKItissue: SKI cancer: SKIN model num: 0SKINtissue: SKIN cancer: undefined model num: 2SKINtissue: SKIN cancer: Cutaneous Melanoma (SKCM) model num: 1LIVEtissue: LIVE cancer: LIVER model num: 0LIVERtissue: LIVER cancer: undefined model num: 2STOMACtissue: STOMAC cancer: STOMACH model num: 0STOMACHtissue: STOMACH cancer: Esophageal Adenocarcinoma (ESCA) model num: 1HEAD_NECtissue: HEAD_NEC cancer: HEAD_NECK model num: 0HEAD_NECKtissue: HEAD_NECK cancer: Head and Neck Squamous Cell Carcinoma (HNSC) 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
10987 COPS5 1
4627 MYH9 1
2956 MSH6 1
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Gene in drug-gene network: Network Plot

DLG1DLG1selumetinib in BRAF mutant tumorsselumetinib in BRAF mutant tumorskinetin ribosidekinetin ribosideCDK4/6 inhibitorsCDK4/6 inhibitorsBMS-754807BMS-754807MEK inhibitorsMEK inhibitorscetuximabcetuximabcytochalasin.Bcytochalasin.BVER 155008VER 155008BI-2536BI-2536ubistatin Bubistatin BABT737ABT737PanitumumabPanitumumabFedratinibFedratinibPLX-4720PLX-4720DabrafenibDabrafenibVemurafenibVemurafenibChloropentafluorobenzeneChloropentafluorobenzeneBinimetinib (MEK162)Binimetinib (MEK162)RefametinibRefametinibTrametinibTrametinibNRASNRASBIRB-796BIRB-796AUY922AUY922NSC87877NSC87877PD-173074PD-173074BPTFBPTFQuiflaponQuiflaponDactolisibDactolisibISX-9ISX-9ParthenolideParthenolideisoevodiamineisoevodiamineparbendazoleparbendazoleSR-II-138ASR-II-138ANSC141540NSC141540Nsc 632839Nsc 632839chaetocinchaetocinteniposideteniposideFqi1Fqi1KDM6AKDM6AsalermidesalermideBIX01294BIX01294Nutlin-3aNutlin-3aMytomycin CMytomycin CY-39983Y-39983Liposomal DoxorubicinLiposomal DoxorubicinGemcitabineGemcitabineCis-PlatinCis-PlatinindisulamindisulamTP53TP53PX 12PX 12quinoclaminequinoclamineCIL55ACIL55ANSC95397NSC95397ML162ML162BRD6368BRD6368nakiterpiosinnakiterpiosinLY 2183240LY 2183240NPC26NPC26gossypolgossypolML214ML214piperlonguminepiperlongumineTGFB1TGFB1IdarubicinIdarubicinBMS-536924BMS-536924VX-680VX-680zebularinezebularineFQI-2FQI-2MSH6MSH6DasatnibDasatnibCHIR-99021CHIR-99021austocystin.Daustocystin.DRO-3306RO-3306SERPINE1SERPINE1PP-30PP-30MST-312MST-312tipifarnib-P2tipifarnib-P2neopeltolideneopeltoliderotenonerotenonenavitoclaxnavitoclaxDC-45-A2DC-45-A2Compound.1541ACompound.1541ABRD4132BRD4132179324-69-7179324-69-7PemetrexedPemetrexedARHGAP29ARHGAP29Merck60Merck60GMX1778GMX1778BRD4770BRD4770PAC-1PAC-1LexibulinLexibulinCHEK2CHEK2Compound 44Compound 44RITARITAtriacsin Ctriacsin CTyrphostin AG 1478Tyrphostin AG 1478BRD9876BRD9876SirolimusSirolimusSERPINA2SERPINA2OSI-906 (Linsitinib)OSI-906 (Linsitinib)UNC0638UNC0638Compound.7d.cisCompound.7d.cisBIBR-1532BIBR-1532Bleomycin (50 uM)Bleomycin (50 uM)BAY.61.3606BAY.61.3606Epothilone.BEpothilone.BPHA-665752PHA-665752ABT-263ABT-263PF4708671PF4708671nutlin 3nutlin 3CD437CD437NSG1NSG1GefitnibGefitnibGW-405833GW-405833DacomitinibDacomitinibAfatnibAfatnibirreversible EGFR TKIsirreversible EGFR TKIsErlotinibErlotinibEGFR TKIsEGFR TKIsOsimertinibOsimertinibHSP90 inhibitorsHSP90 inhibitorspevonedistatpevonedistatMEK inhibitors (alone or in combination)MEK inhibitors (alone or in combination)EGFREGFRBX-795BX-795ML 210ML 210leucascandrolide Aleucascandrolide A(-)-gallocatechin-3-O-gallate(-)-gallocatechin-3-O-gallateSCHEMBL2608041SCHEMBL2608041CHM-1CHM-1MYH9MYH9TAE-684TAE-684pluripotinpluripotinDMOGDMOGSRCSRCSN-38SN-38SB225002SB225002COPS5COPS5ERRFI1ERRFI1SMAD1SMAD1CAY10618CAY10618manumycin.Amanumycin.APRIMA-1PRIMA-1ceruleninceruleninPL.DIPL.DISepantroniumSepantroniumoligomycin.Aoligomycin.A17-AAG17-AAGnecrosulfonamidenecrosulfonamidemethylstatmethylstatX1S.3R.RSL.3X1S.3R.RSL.3erastinerastinBRD-K34222889BRD-K34222889UBL4AUBL4AGW-843682XGW-843682XAZD-1775AZD-1775PaclitaxelPaclitaxelGSK-461364GSK-461364XL-880XL-880PF 184PF 184XPO1XPO1LY3023414LY3023414GSK2636771GSK2636771BRD63610BRD63610EverolimusEverolimusbistramide Abistramide APARP inhibitorsPARP inhibitorsmTOR inhibitorsmTOR inhibitorsOlaparibOlaparibPI3K pathway inhibitorsPI3K pathway inhibitorsMK-2206MK-2206AZD8186AZD8186GSK690693GSK690693trastuzumab alonetrastuzumab alonePTENPTENAZD2281AZD2281QL-XI-92QL-XI-92WEE1 inhibitorsWEE1 inhibitorsCHEMBL585951CHEMBL585951FH535FH535STF-31STF-31LenalidomideLenalidomideShikoninShikoninNilotinibNilotinibTHR1 InhibitorTHR1 InhibitorSETD2SETD2CobimetinibCobimetinibSorafenibSorafenibBRAF inhibitorsBRAF inhibitorspan-RAF inhibitorspan-RAF inhibitorsBRAFBRAFTW-37TW-37BRD7137BRD7137EP300EP300FK 866FK 866avrainvillamideavrainvillamideSOS1SOS1platinum agentsplatinum agentsABT-751ABT-751BRCA2BRCA2CCT 018159CCT 018159cytarabine.hydrochloridecytarabine.hydrochlorideCamptothecinCamptothecinZM-447439ZM-447439AZD7762AZD7762VincaleukoblastineVincaleukoblastineKAT2AKAT2API-103PI-103MAGI1MAGI1SMER3SMER3importazoleimportazoleAM-580AM-580fingolimodfingolimodBelinostatBelinostatIrinotecanIrinotecanUGT1A1UGT1A1ciclosporinciclosporinitraconazoleitraconazoleCompound 110Compound 110YK.4.279YK.4.279BET inhibitorsBET inhibitorskahalalide Fkahalalide FMYCMYCTazemetostatTazemetostatEPZ-6438EPZ-6438SCHEMBL2593705SCHEMBL2593705EPZ005687EPZ005687PD0325901PD0325901EZH2 inhibitorEZH2 inhibitorEZH2EZH2Obatoclax.MesylateObatoclax.Mesylate

Models in Obatoclax

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
EXP(P70S6K_pS371) protein MCLP BREAST undefined Obatoclax.Mesylate sensitivity in vitro
EXP(SRC) protein MCLP BLOOD undefined Obatoclax.Mesylate sensitivity in vitro
EXP(STAT5_pY694) protein MCLP BLOOD undefined Obatoclax.Mesylate resistance in vitro
EXP(CAVEOLIN1) protein MCLP undefined PANCAN Obatoclax.Mesylate resistance in vitro
EXP(MIG6) protein MCLP undefined PANCAN Obatoclax.Mesylate resistance in vitro
EXP(PAI1) protein MCLP undefined PANCAN Obatoclax.Mesylate resistance in vitro
EXP(PAXILLIN) protein MCLP undefined PANCAN Obatoclax.Mesylate resistance in vitro
EXP(TRANSGLUTAMINASE) protein MCLP undefined PANCAN Obatoclax.Mesylate resistance in vitro
EXP(BRAF_pS445) protein MCLP undefined PANCAN Obatoclax.Mesylate sensitivity in vitro
EXP(ATR) protein MCLP undefined PANCAN Obatoclax.Mesylate resistance in vitro
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