iGMDRD728

Canonical SMILES: CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7.C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.C1=C(C(=O)NC(=O)N1)F

InChI: InChI=1S/C33H38N4O6.C20H23N7O7.C4H3FN2O2/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2;21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;5-2-1-6-4(9)7-3(2)8/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3;1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);1H,(H2,6,7,8,9)/t33-;12?,13-;/m00./s1

InChI Key: JYEFSHLLTQIXIO-SMNQTINBSA-N

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Standard Name
Pubchem CID
Drug Status
Drug Type
Standard NameFOLFIRI regimen
Pubchem CID56842100
Drug StatusAlone
Drug TypeSmall Molecule

Drug-model tissue-cancer distribution: Bubble Plot

BOWEtissue: BOWE cancer: BOWEL model num: 0BOWELtissue: BOWEL cancer: Colorectal Cancer model num: 1

Drug-gene pathway enrichments

1pid: TGF-beta receptor signaling1netpath: TGF_beta_Receptor1kegg: Protein processing in endoplasmic reticulum - Homo sapiens (human)1wikipathways: Photodynamic therapy-induced unfolded protein response1pid: BMP receptor signaling1reactome: Signaling by TGF-beta family members1reactome: Signaling by TGF-beta Receptor Complex1reactome: Downregulation of TGF-beta receptor signaling1reactome: TGF-beta receptor signaling activates SMADs1reactome: Signal Transduction

Drug-gene GO enrichments

2BP: positive regulation of phosphoprotein phosphatase activity2BP: response to endoplasmic reticulum stress2CC: endoplasmic reticulum2CC: cytoplasm2CC: protein phosphatase type 1 complex2MF: protein phosphatase 1 binding2MF: protein phosphatase regulator activity2BP: positive regulation of endoplasmic reticulum stress-induced eIF2 alpha dephosphorylation1BP: negative regulation of protein dephosphorylation1BP: negative regulation of phosphoprotein phosphatase activity

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
23645 PPP1R15A 1
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Gene in drug-gene network: Network Plot

BevacizumabBevacizumabPPP1R15APPP1R15AFOLFIRI RegimenFOLFIRI Regimen

Models in FOLFIRI regimen

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
SNV(PPP1R15A R251P) gene 27177629 BOWEL Colorectal Cancer FOLFIRI Regimen sensitivity in vivo
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