iGMDRD212

Canonical SMILES: CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=O)CCC3=O

InChI: InChI=1S/C19H20N2O3/c1-13-10-16(17(22)12-21-18(23)8-9-19(21)24)14(2)20(13)11-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3

InChI Key: JRESCQKIRPOOEM-UHFFFAOYSA-N

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Standard Name
Pubchem CID
Drug Status
Drug Type
Standard NameML031
Pubchem CID2113510
Drug StatusAlone
Drug TypeSmall Molecule

Drug Targets:

S1PR2

Drug-model tissue-cancer distribution: Bubble Plot

LUNtissue: LUN cancer: LUNG model num: 0LUNGtissue: LUNG cancer: undefined model num: 2undefinetissue: undefine cancer: undefined model num: 0undefinedtissue: undefined cancer: PANCAN model num: 1

Drug-gene pathway enrichments

1pid: Validated nuclear estrogen receptor beta network1wikipathways: Tumor suppressor activity of SMARCB11reactome: RUNX1 interacts with co-factors whose precise effect on RUNX1 targets is not known1pid: Regulation of retinoblastoma protein1netpath: TNFalpha1kegg: Hepatocellular carcinoma - Homo sapiens (human)1kegg: Thermogenesis - Homo sapiens (human)1reactome: Transcriptional regulation by RUNX11reactome: Gene expression (Transcription)1reactome: Generic Transcription Pathway

Drug-gene GO enrichments

2BP: ATP-dependent chromatin remodeling2CC: SWI/SNF complex2BP: nucleosome disassembly2BP: chromatin remodeling2BP: regulation of transcription by RNA polymerase II2CC: nucleoplasm2CC: nucleus2MF: transcription coactivator activity2MF: protein binding2BP: positive regulation of transcription of nucleolar large rRNA by RNA polymerase I

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
6598 SMARCB1 1
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Gene in drug-gene network: Network Plot

GW-405833GW-405833serdemetanserdemetanisoevodiamineisoevodiamineCompound.1541ACompound.1541ALY 2183240LY 2183240GMX1778GMX1778NSC141540NSC141540EZH2 inhibitorEZH2 inhibitorNVP-AUY922NVP-AUY922Nsc 632839Nsc 632839piperlonguminepiperlongumineNSC23766NSC23766triptolidetriptolideSMARCB1SMARCB1ML031ML031

Models in ML031

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
EXP(TRANSGLUTAMINASE) protein MCLP LUNG undefined ML031 sensitivity in vitro
EXP(SNF5) protein MCLP LUNG undefined ML031 resistance in vitro
EXP(BRAF_pS445) protein MCLP undefined PANCAN ML031 resistance in vitro
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