iGMDRD516

Canonical SMILES: CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1

InChI: InChI=1S/C26H41N3O5/c1-6-7-13-21(16-30)27-24(31)22(14-18(2)3)28-25(32)23(15-19(4)5)29-26(33)34-17-20-11-9-8-10-12-20/h8-12,16,18-19,21-23H,6-7,13-15,17H2,1-5H3,(H,27,31)(H,28,32)(H,29,33)/t21?,22-,23+/m0/s1

InChI Key: RNPDUXVFGTULLP-ATTQYFOMSA-N

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Standard Name
Pubchem CID
Drug Status
Drug Type
Standard NameZ-LLNle-CHO
Pubchem CID16760600
Drug StatusAlone
Drug TypeSmall Molecule

Drug Targets:

gamma-secretase

Drug-model tissue-cancer distribution: Bubble Plot

undefinetissue: undefine cancer: undefined model num: 0undefinedtissue: undefined cancer: PANCAN model num: 7

Drug-gene pathway enrichments

7reactome: Signal Transduction5reactome: Signaling by Receptor Tyrosine Kinases4reactome: Generic Transcription Pathway4reactome: Cell Cycle, Mitotic4reactome: Immune System4kegg: Pathways in cancer - Homo sapiens (human)4reactome: Gene expression (Transcription)4reactome: Diseases of signal transduction4reactome: RNA Polymerase II Transcription4reactome: Cell Cycle

Drug-gene GO enrichments

7CC: cytosol6MF: protein binding5CC: nucleus5BP: cytokine-mediated signaling pathway5CC: plasma membrane4CC: nucleoplasm4MF: protein tyrosine kinase activity3BP: signal transduction3BP: negative regulation of cell proliferation3BP: MAPK cascade

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
3845 KRAS 1
10142 AKAP9 1
1029 CDKN2A 1
2189 FANCG 1
Showing 1 to 4 of 6 rows

Gene in drug-gene network: Network Plot

tipifarnib-P2tipifarnib-P2neopeltolideneopeltoliderotenonerotenoneBMS-536924BMS-536924brefeldin.Abrefeldin.Acytochalasin.Bcytochalasin.BBIX01294BIX01294ubistatin Bubistatin BBRD4132BRD4132SepantroniumSepantroniumJQ1 CompoundJQ1 CompoundVX-680VX-680tamatinibtamatinibpurmorphaminepurmorphaminezebularinezebularineChloropentafluorobenzeneChloropentafluorobenzenenutlin 3nutlin 3PemetrexedPemetrexedFANCGFANCGMST-312MST-312triacsin Ctriacsin CBRD6368BRD6368ruxolitinib (in SH2B3 deleted)ruxolitinib (in SH2B3 deleted)nakiterpiosinnakiterpiosinNsc 632839Nsc 632839pluripotinpluripotinSirolimusSirolimusJAK2JAK2kinetin ribosidekinetin ribosideBMS-754807BMS-754807quinoclaminequinoclamineISX-9ISX-9CIL55ACIL55AParthenolideParthenolideTamoxifenTamoxifenPDMPPDMPLY 2183240LY 2183240Tyrphostin AG 1478Tyrphostin AG 1478pevonedistatpevonedistatbatimastatbatimastatPF750PF750indisulamindisulamFqi1Fqi1AKAP9AKAP9PP-30PP-30selumetinib in BRAF mutant tumorsselumetinib in BRAF mutant tumorsMEK inhibitorsMEK inhibitorsGefitnibGefitnibCHEMBL399379CHEMBL399379cetuximabcetuximabErlotinibErlotinibPanitumumabPanitumumabPD0325901PD0325901NSC141540NSC141540PI3K pathway inhibitorsPI3K pathway inhibitorsSarcolysinSarcolysinRefametinibRefametinibRegorafenibRegorafenibTrametinibTrametinibKRASKRASPI-103PI-103CDK4/6 inhibitorsCDK4/6 inhibitorsCompound 44Compound 44manumycin.Amanumycin.ABRD63610BRD63610PD-0332991PD-0332991CHIR-99021CHIR-990212,4-dideoxy-DC-45-A22,4-dideoxy-DC-45-A2FedratinibFedratinibpifithrin-mupifithrin-muGMX1778GMX1778SMR000068650SMR000068650CDKN2ACDKN2ACompound 110Compound 110Merck60Merck60piperlonguminepiperlongumineMK-2206MK-2206AKT2AKT2Z-LLNle-CHOZ-LLNle-CHO

Models in Z-LLNle-CHO

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
AMP(BLM,CRTC3,FANCI,IDH2,NR2F2,PCSK6) gene GDSC undefined PANCAN Z-LLNle-CHO resistance in vitro
AMP(FANCG) gene GDSC undefined PANCAN Z-LLNle-CHO resistance in vitro
¬AMP(ACTB,CARD11,PMS2,RAC1)&(AKAP9)|DEL(16q23.1)&DEL(BNC2,CDKN2A,JAK2,PSIP1) mix GDSC undefined PANCAN Z-LLNle-CHO sensitivity in vitro
MUT(CDKN2A)|DEL(CDKN2A) mix 22460902 undefined PANCAN Z-LLNle-CHO sensitivity in vitro
MUT(KRAS)|AMP(KRAS) mix 22460902 undefined PANCAN Z-LLNle-CHO sensitivity in vitro
AMP(AKT2) gene 22460902 undefined PANCAN Z-LLNle-CHO sensitivity in vitro
AMP(JAK2) gene 22460902 undefined PANCAN Z-LLNle-CHO sensitivity in vitro
Showing 1 to 7 of 7 rows

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