iGMDRD358

Canonical SMILES: CC(C)C(C(=O)NC(C)C(=O)NC1C2=CC=CC=C2CCN(C1=O)C)O

InChI: InChI=1S/C19H27N3O4/c1-11(2)16(23)18(25)20-12(3)17(24)21-15-14-8-6-5-7-13(14)9-10-22(4)19(15)26/h5-8,11-12,15-16,23H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t12-,15-,16-/m0/s1

InChI Key: PKXWXXPNHIWQHW-RCBQFDQVSA-N

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Standard Name
CHEMBL
Pubchem CID
DRUGBANK ID
Drug Status
Drug Type
Standard NameSemagacestat
CHEMBLCHEMBL520733
Pubchem CID9843750
DRUGBANK IDDB12463
Drug StatusAlone
Drug TypeSmall Molecule


Drug Targets:

APH1ANCSTNPSEN1PSENEN

Drug-model tissue-cancer distribution: Bubble Plot

UTERUtissue: UTERU cancer: UTERUS model num: 0UTERUStissue: UTERUS cancer: undefined model num: 1LUNtissue: LUN cancer: LUNG model num: 0LUNGtissue: LUNG cancer: undefined model num: 1BOWEtissue: BOWE cancer: BOWEL model num: 0BOWELtissue: BOWEL cancer: undefined model num: 1BREAStissue: BREAS cancer: BREAST model num: 0BREASTtissue: BREAST cancer: undefined model num: 9undefinetissue: undefine cancer: undefined model num: 0undefinedtissue: undefined cancer: PANCAN model num: 5

Drug-gene pathway enrichments

7reactome: Signal Transduction4reactome: Signaling by Receptor Tyrosine Kinases4reactome: SHC1 events in ERBB2 signaling4reactome: RNA Polymerase II Transcription4reactome: Gene expression (Transcription)4reactome: Disease4reactome: Signaling by ERBB24wikipathways: Signaling Pathways in Glioblastoma3kegg: ErbB signaling pathway - Homo sapiens (human)3kegg: Pathways in cancer - Homo sapiens (human)

Drug-gene GO enrichments

11MF: protein binding8CC: nucleoplasm8MF: protein tyrosine kinase activity6CC: plasma membrane6CC: cytosol5CC: nucleus5BP: signal transduction5BP: mismatch repair5CC: receptor complex5MF: ATP binding

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
2956 MSH6 1
57580 PREX1 1
2625 GATA3 1
369 ARAF 1
Showing 1 to 4 of 10 rows

Gene in drug-gene network: Network Plot

Models in Semagacestat

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
EXP(ERCC1) protein MCLP UTERUS undefined semagacestat resistance in vitro
EXP(CTLA4) protein MCLP LUNG undefined semagacestat sensitivity in vitro
EXP(FOXO3A_pS318S321) protein MCLP BOWEL undefined semagacestat resistance in vitro
EXP(CAVEOLIN1) protein MCLP BREAST undefined semagacestat resistance in vitro
EXP(EGFR) protein MCLP BREAST undefined semagacestat resistance in vitro
EXP(GATA3) protein MCLP BREAST undefined semagacestat sensitivity in vitro
EXP(HER3) protein MCLP BREAST undefined semagacestat sensitivity in vitro
EXP(IGFBP2) protein MCLP BREAST undefined semagacestat sensitivity in vitro
EXP(SF2) protein MCLP BREAST undefined semagacestat sensitivity in vitro
EXP(PREX1) protein MCLP BREAST undefined semagacestat sensitivity in vitro
Showing 1 to 10 of 17 rows rows per page

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Disclaimer: iGMDR is intended for research purposes only. Its information cannot be used for emergencies or medical or professional advice.