iGMDRD785

Canonical SMILES: CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC(=C(S3)C(=O)C4=CC=C(C=C4)NC(=O)C=C)N)OC

InChI: InChI=1S/C25H28N6O3S/c1-4-21(32)27-17-7-5-16(6-8-17)22(33)23-24(26)29-25(35-23)28-19-10-9-18(15-20(19)34-3)31-13-11-30(2)12-14-31/h4-10,15H,1,11-14,26H2,2-3H3,(H,27,32)(H,28,29)

InChI Key: VYWMWKFIDRIEPP-UHFFFAOYSA-N

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Standard Name
Pubchem CID
Drug Status
Drug Type
Standard NameXMD15-27
Pubchem CID73707500
Drug StatusAlone
Drug TypeSmall Molecule


Drug Pathways:

Other, kinases

Drug-model tissue-cancer distribution: Bubble Plot

BOWEtissue: BOWE cancer: BOWEL model num: 0BOWELtissue: BOWEL cancer: Colorectal Adenocarcinoma (COADREAD) model num: 1undefinetissue: undefine cancer: undefined model num: 0undefinedtissue: undefined cancer: PANCAN model num: 1LYMPtissue: LYMP cancer: LYMPH model num: 0LYMPHtissue: LYMPH cancer: Diffuse Large B-Cell Lymphoma (DLBCL) model num: 1STOMACtissue: STOMAC cancer: STOMACH model num: 0STOMACHtissue: STOMACH cancer: Esophageal Adenocarcinoma (ESCA) model num: 1BONtissue: BON cancer: BONE model num: 0BONEtissue: BONE cancer: Acute Myeloid Leukemia (AML) model num: 1

Drug-gene pathway enrichments

12reactome: Signal Transduction7kegg: Pathways in cancer - Homo sapiens (human)6kegg: MicroRNAs in cancer - Homo sapiens (human)6reactome: Diseases of signal transduction6reactome: Generic Transcription Pathway6reactome: Gene expression (Transcription)6reactome: RNA Polymerase II Transcription6kegg: Endometrial cancer - Homo sapiens (human)6kegg: Hepatocellular carcinoma - Homo sapiens (human)6kegg: Breast cancer - Homo sapiens (human)

Drug-gene GO enrichments

9CC: nucleoplasm9BP: positive regulation of transcription by RNA polymerase II8BP: positive regulation of gene expression8MF: protein binding8MF: RNA polymerase II transcription factor activity, sequence-specific DNA binding8CC: nucleus8CC: cytosol6CC: cytoplasm6BP: positive regulation of transcription, DNA-templated5CC: plasma membrane

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
3845 KRAS 1
1387 CREBBP 1
7157 TP53 1
4609 MYC 1
Showing 1 to 4 of 8 rows

Gene in drug-gene network: Network Plot

PI-103PI-103BMS-754807BMS-754807Compound 44Compound 44ciclosporinciclosporintipifarnib-P2tipifarnib-P2itraconazoleitraconazoleCompound 110Compound 110Merck60Merck60SB225002SB225002bistramide Abistramide AnakiterpiosinnakiterpiosinYK.4.279YK.4.279VX-680VX-680(-)-gallocatechin-3-O-gallate(-)-gallocatechin-3-O-gallateBET inhibitorsBET inhibitorserastinerastinCD437CD437kahalalide Fkahalalide FMYCMYCPX 12PX 12QuiflaponQuiflaponquinoclaminequinoclaminemanumycin.Amanumycin.AParthenolideParthenolideparbendazoleparbendazoleCompound.7d.cisCompound.7d.cisBRD6368BRD6368pifithrin-mupifithrin-muBRD4770BRD4770PRIMA-1METPRIMA-1METFqi1Fqi1CREBBPCREBBPAxitinibAxitinibZibotentan (ZD4054)Zibotentan (ZD4054)CX-5461CX-5461SB590885SB590885Bryostatin.1Bryostatin.1OlaparibOlaparibBosutinibBosutinibABT.888ABT.888ASXL1ASXL1salermidesalermideBIX01294BIX01294Nutlin-3aNutlin-3aMytomycin CMytomycin CY-39983Y-39983NSC141540NSC141540Liposomal DoxorubicinLiposomal DoxorubicinGemcitabineGemcitabineCis-PlatinCis-PlatinindisulamindisulamTP53TP53selumetinib in BRAF mutant tumorsselumetinib in BRAF mutant tumorsMEK inhibitorsMEK inhibitorscetuximabcetuximabCobimetinibCobimetinibSorafenibSorafenibPanitumumabPanitumumabBRAF inhibitorsBRAF inhibitorspan-RAF inhibitorspan-RAF inhibitorsPLX-4720PLX-4720DabrafenibDabrafenibVemurafenibVemurafenibRefametinibRefametinibTrametinibTrametinibBRAFBRAFkinetin ribosidekinetin ribosideCDK4/6 inhibitorsCDK4/6 inhibitorscytochalasin.Bcytochalasin.BVER 155008VER 155008BI-2536BI-2536ubistatin Bubistatin BABT737ABT737FedratinibFedratinibChloropentafluorobenzeneChloropentafluorobenzeneBinimetinib (MEK162)Binimetinib (MEK162)NRASNRASLY3023414LY3023414GSK2636771GSK2636771BMS-536924BMS-536924BRD63610BRD63610EverolimusEverolimusCompound.1541ACompound.1541APARP inhibitorsPARP inhibitorsmTOR inhibitorsmTOR inhibitorsPI3K pathway inhibitorsPI3K pathway inhibitorsMK-2206MK-2206zebularinezebularineAZD8186AZD8186GSK690693GSK690693trastuzumab alonetrastuzumab aloneSirolimusSirolimusPTENPTENPP-30PP-30GefitnibGefitnibCHEMBL399379CHEMBL399379ErlotinibErlotinibPD0325901PD0325901SarcolysinSarcolysinRegorafenibRegorafenibKRASKRASXMD15-27XMD15-27

Models in XMD15-27

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
AMP(MYC) gene GDSC BOWEL Colorectal Adenocarcinoma (COADREAD) XMD15-27 sensitivity in vitro
¬MUT(BRAF)&¬MUT(KRAS)&¬MUT(TP53)&¬DEL(8p23.1) mix GDSC undefined PANCAN XMD15-27 sensitivity in vitro
¬MUT(PTEN)&¬DEL(16q23.1)&¬PWU(TLR)&¬PWD(MAPK_PI3K) mix GDSC LYMPH Diffuse Large B-Cell Lymphoma (DLBCL) XMD15-27 sensitivity in vitro
¬AMP(7q31.1)&DEL(16q23.1) mix GDSC STOMACH Esophageal Adenocarcinoma (ESCA) XMD15-27 sensitivity in vitro
¬MUT(ASXL1)&¬MUT(CREBBP)&¬MUT(NRAS) mix GDSC BONE Acute Myeloid Leukemia (AML) XMD15-27 sensitivity in vitro
Showing 1 to 5 of 5 rows

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