iGMDRD513


Canonical SMILES: CC(C)C1=CN=C(S1)NC(=O)CC2=CC=CC=C2

InChI: InChI=1S/C14H16N2OS/c1-10(2)12-9-15-14(18-12)16-13(17)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16,17)

InChI Key: IGRZXNLKVUEFDM-UHFFFAOYSA-N

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Standard Name
CHEMBL
Pubchem CID
Drug Status
Drug Type
Standard NameBML-259
Pubchem CID16760000
Drug StatusAlone
Drug TypeSmall Molecule

Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
331 XIAP 2
27102 EIF2AK1 1
6664 SOX11 3
79054 TRPM8 4
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Gene in drug-gene network: Network Plot

PX 12PX 12tipifarnib-P2tipifarnib-P2BX-795BX-795BIX01294BIX01294ParthenolideParthenolideserdemetanserdemetanGW-843682XGW-843682XCyanoquinoline, 11Cyanoquinoline, 11LY 2183240LY 2183240Tyrphostin AG 1478Tyrphostin AG 1478gossypolgossypolpluripotinpluripotinML214ML214BRD9876BRD9876BRD7137BRD7137zebularinezebularineindisulamindisulamEIF2AK1EIF2AK1MST-312MST-312salermidesalermidenavitoclaxnavitoclaxlapatinib in HER2-amplifiedlapatinib in HER2-amplifiedAZD6482.1AZD6482.1Compound.7d.cisCompound.7d.cisceruleninceruleninaustocystin.Daustocystin.DABT-751ABT-751rTRAILrTRAILpenfluridolpenfluridolAM-580AM-580CIL41CIL41(-)-gallocatechin-3-O-gallate(-)-gallocatechin-3-O-gallateTW-37TW-37SKI IISKI IIpiperlonguminepiperlongumineEIF4A2EIF4A2IdarubicinIdarubicinRITARITAisoevodiamineisoevodiamineparbendazoleparbendazoleMerck60Merck60avrainvillamideavrainvillamideGMX1778GMX1778NPC26NPC26Compound 10b [PMID: 11504634]Compound 10b [PMID: 11504634]triptolidetriptolideFqi1Fqi1NPATNPATkinetin ribosidekinetin ribosideBMS-536924BMS-536924FK 866FK 866lovastatin acidlovastatin acidABT737ABT737BRD6368BRD6368NVP-AUY922NVP-AUY922179324-69-7179324-69-7Vorinostat (SAHA)Vorinostat (SAHA)GemcitabineGemcitabinecurcumincurcuminTLR4TLR4cytochalasin.Bcytochalasin.BPIK-75PIK-75FedratinibFedratinib(1S,3R)-RSL3(1S,3R)-RSL3CD437CD4374-methylfasudil4-methylfasudilRBBP8RBBP8SN-38SN-38PNU-74654PNU-74654N9-Isopropyl-olomoucineN9-Isopropyl-olomoucineubistatin Bubistatin BSB225002SB225002Nsc 632839Nsc 632839chaetocinchaetocinpevonedistatpevonedistatCompound.23.citrateCompound.23.citratenutlin 3nutlin 3kahalalide Fkahalalide FRAB33BRAB33BPI-103PI-103NeratinibNeratinibtosedostattosedostatoligomycin.Aoligomycin.APAX8PAX8CHEMBL399379CHEMBL399379BRD63610BRD63610itraconazoleitraconazoletanespimycintanespimycinSCHEMBL2608041SCHEMBL2608041PAC-1PAC-1RPL22RPL22PF750PF750SirolimusSirolimusMIA3MIA3nakiterpiosinnakiterpiosinSepantroniumSepantroniumTRPM8TRPM8leucascandrolide Aleucascandrolide AHERC2HERC2DasatnibDasatnibPRIMA-1PRIMA-1JAK inhibitorsJAK inhibitorstamatinibtamatinibPRIMA-1METPRIMA-1METursolic acidursolic acidChloropentafluorobenzeneChloropentafluorobenzeneCBLCBLWNK3WNK3selumetinib in BRAF mutant tumorsselumetinib in BRAF mutant tumorsMEK inhibitorsMEK inhibitorsPKC inhibitorPKC inhibitorDC-45-A2DC-45-A2JQ1 CompoundJQ1 CompoundHDAC inhibitorsHDAC inhibitorsPLX-4720PLX-4720PI3K pathway inhibitorsPI3K pathway inhibitorsVemurafenibVemurafenibRefametinibRefametinibTrametinibTrametinibGNAQGNAQEverolimusEverolimusmTOR inhibitorsmTOR inhibitorsNSC23766NSC23766TSC2TSC2PP-30PP-30PRL-3 Inhibitor IPRL-3 Inhibitor Itriacsin Ctriacsin CLDN 193189LDN 193189BRD4354BRD4354BUB1BUB1bistramide Abistramide ACICCICISX-9ISX-9NSC95397NSC95397AZD-1775AZD-1775Compound 110Compound 110AACOCF3AACOCF3ML006ML006ZNF217ZNF217VX-680VX-680ITGA7ITGA7quinoclaminequinoclamineNSC141540NSC141540MK-2206MK-2206PER1PER1FZD1FZD1Compound 44Compound 44QuiflaponQuiflaponSTILSTILneopeltolideneopeltolideDGKBDGKBRo 28-1675Ro 28-1675IRS1IRS1brefeldin.Abrefeldin.AML 210ML 210FNBP1FNBP1PemetrexedPemetrexedWEE1WEE1TGX-115TGX-115batimastatbatimastatMARK3MARK3necrostatin-1necrostatin-1pifithrin-alphapifithrin-alphablebbistatinblebbistatinSMR000068650SMR000068650PIK3CGPIK3CGCompound.1541ACompound.1541Aall trans Retinoic Acidall trans Retinoic Acidpifithrin-mupifithrin-mupurmorphaminepurmorphamineAC55649AC55649S100A9S100A9SR-II-138ASR-II-138ATNFRSF9TNFRSF9BMP2KBMP2Kmanumycin.Amanumycin.ABRD4770BRD4770CREBBPCREBBPZFP69BZFP69BCHIC2CHIC2HOXD13HOXD13DactolisibDactolisibteniposideteniposideKDM6AKDM6ACAY10618CAY10618CDKL5CDKL5MetforminMetforminPRKAR1APRKAR1AML162ML162TTBK1TTBK1NUP153NUP1532,4-dideoxy-DC-45-A22,4-dideoxy-DC-45-A2CYP1A2CYP1A2ADAMTS20ADAMTS20YK.4.279YK.4.279EPHA2EPHA2Quizartinib (AC220)Quizartinib (AC220)VER 155008VER 155008OlaparibOlaparibFGF13FGF13SP110SP110OSW-1OSW-1TNFAIP3TNFAIP3cetuximabcetuximabCobimetinibCobimetinibSorafenibSorafenibPanitumumabPanitumumabBRAF inhibitorsBRAF inhibitorspan-RAF inhibitorspan-RAF inhibitorsDabrafenibDabrafenibBRAFBRAFKLF6KLF6TamoxifenTamoxifenPRKCGPRKCGML203ML203CIL56CIL56MAP3K19MAP3K19WASWASTFR2TFR2RIPK4RIPK4BMS-754807BMS-754807E2F1E2F1PICALMPICALMSTK32ASTK32ATNK2TNK2ACOXLACOXLSCH-529074SCH-529074ADAM28ADAM28PARP inhibitorsPARP inhibitorsLexibulinLexibulinFQI-2FQI-2CHM-1CHM-1CDK12CDK12CDK4/6 inhibitorsCDK4/6 inhibitorsPD-0332991PD-0332991CHIR-99021CHIR-99021CDKN2ACDKN2ANSD2NSD2PDGFRBPDGFRBSACSSACSPDCD11PDCD11All-trans Retinoic AcidAll-trans Retinoic AcidDaunorubicinDaunorubicinNPM1NPM1BIRB-796BIRB-796PD0325901PD0325901Cis-PlatinCis-PlatinERCC4ERCC4NCOA4NCOA4CHN1CHN1SIX4SIX4CHEMBL1434137CHEMBL1434137PKDCCPKDCCBI-2536BI-2536Bax.channel.blockerBax.channel.blockerSTK4STK4ERGERGKAT6BKAT6BNRBP1NRBP1COL14A1COL14A1CDK13CDK13CLPTM1CLPTM1ARHGEF7ARHGEF7rotenonerotenoneBRD4132BRD4132RIOK1RIOK1PK-11195PK-11195HSP90AA1HSP90AA1TNFRSF1BTNFRSF1BIRAK4IRAK4TCF12TCF12GW-405833GW-405833PDMPPDMPTP63TP63STK35STK35NOTCH4NOTCH4IKZF3IKZF3ADAM29ADAM29ELCPKELCPKWLSWLSBevacizumabBevacizumabErlotinibErlotinibNilotinibNilotinibNF1NF1CSF1RCSF1REPHA8EPHA8EPHA6EPHA6ABCA3ABCA3KLK7KLK7TSHRTSHRCIL55ACIL55AHDAC2HDAC2CRTC1CRTC1LE-135LE-135erastinerastinRALGDSRALGDSBRIP1BRIP1TRPM7TRPM7PRAMEPRAMECASP7CASP7PI4KAPI4KAPKN2PKN2CCDC170CCDC170TLN1TLN1NSC74859NSC74859LMO2LMO2PPARGPPARGMYH11MYH11LRGUKLRGUKNUP210NUP210FASLGFASLGKTN1KTN1PaclitaxelPaclitaxelFANCD2FANCD2CDC42BPBCDC42BPBSOS1SOS1BMXBMXHSPB1HSPB1CGP-082996CGP-082996CDK3CDK3RPGRIP1RPGRIP1GPC3GPC3PRKCBPRKCBSOX11SOX11TGFB3TGFB3HNF1BHNF1BPertuzumabPertuzumabDacomitinibDacomitinibAfatnibAfatnibERBB2 TKIsERBB2 TKIschemotherapychemotherapyAdo-trastuzumab emtansineAdo-trastuzumab emtansinetrastuzumab alonetrastuzumab aloneERBB2ERBB2CDC42BPACDC42BPAYAP1YAP1ciclosporinciclosporinRANBP9RANBP9IRF4IRF4GUCY2DGUCY2DSunitinibSunitinibImatinib MesylateImatinib MesylatecrenolanibcrenolanibRegorafenibRegorafenibPDGFRAPDGFRAADKADKPIK3C2APIK3C2AGOLGA8BGOLGA8BcapsaicincapsaicinimportazoleimportazoleANAPC5ANAPC5LZTR1LZTR117-AAG17-AAGPHA-665752PHA-665752STK33STK33XIAPXIAPPOU2AF1POU2AF1STK19STK19PRKCZPRKCZCDK1CDK1GCNT2GCNT2UBR5UBR5BAXBAXCDKL3CDKL3PTPRDPTPRDGLYATGLYATPRKD3PRKD3PPP3CBPPP3CBTFGTFGGRIA3GRIA3TPOTPOITKITKVDAC1VDAC1RORARORAGRIN2BGRIN2BPLCG2PLCG2DDR2DDR2CDK19CDK19DYRK3DYRK3MLLT6MLLT6NFKB1NFKB1valdecoxibvaldecoxibMLLT10MLLT10L-685458L-685458CCNT1CCNT1TNNI3KTNNI3K3-chloro-L-alanine3-chloro-L-alanineWRNWRNGLI2GLI2ULK3ULK3NUTM1NUTM1GRAMD1BGRAMD1BPPARAPPARARALBRALBSMAD4SMAD4TOX4TOX4SRPK2SRPK2MECOMMECOMBIRC5BIRC5CREB3L2CREB3L2BML-259BML-259

Models in BML-259

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Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
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