iGMDRD566

Canonical SMILES: CC1CC2C(C(C3(O2)CCC4C5CCC6CC(CCC6(C5CC4=C(C3)C)C)NS(=O)(=O)C)C)NC1

InChI: InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1

InChI Key: HZLFFNCLTRVYJG-WWGOJCOQSA-N

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Standard Name
CHEMBL
Pubchem CID
DRUGBANK ID
Drug Status
Drug Type
Standard NameSaridegib (USAN)
CHEMBLCHEMBL538867
Pubchem CID25027400
DRUGBANK IDDB12655
Drug StatusAlone
Drug TypeSmall Molecule

Drug-model tissue-cancer distribution: Bubble Plot

BRAItissue: BRAI cancer: BRAIN model num: 0BRAINtissue: BRAIN cancer: Medulloblastoma (MBL) model num: 1

Drug-gene pathway enrichments

1reactome: Phase I - Functionalization of compounds1reactome: Interconversion of polyamines1reactome: Metabolism of polyamines1reactome: Metabolism of amino acids and derivatives1reactome: Biological oxidations1reactome: Metabolism1kegg: beta-Alanine metabolism - Homo sapiens (human)1humancyc: spermine and spermidine degradation I1reactome: Amine Oxidase reactions1reactome: PAOs oxidise polyamines to amines

Drug-gene GO enrichments

2MF: polyamine oxidase activity2BP: spermine catabolic process1CC: intracellular membrane-bounded organelle1BP: polyamine biosynthetic process1BP: polyamine catabolic process1CC: nuclear membrane1BP: oxidation-reduction process1CC: cytosol1MF: norspermine:oxygen oxidoreductase activity1MF: N1-acetylspermine:oxygen oxidoreductase (N1-acetylspermidine-forming) activity

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
54498 SMOX 1
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Gene in drug-gene network: Network Plot

selumetinib in BRAF mutant tumorsselumetinib in BRAF mutant tumorskinetin ribosidekinetin ribosideSMO inhibitorSMO inhibitorRITARITAVismodegib (GDC-0449)Vismodegib (GDC-0449)navitoclaxnavitoclaxNSC95397NSC95397parbendazoleparbendazoleMerck60Merck60SB225002SB225002CIL56CIL56NSC23766NSC23766pevonedistatpevonedistatBRD7137BRD7137ursolic acidursolic acidcurcumincurcuminFqi1Fqi1SMOXSMOXSaridegib (USAN)Saridegib (USAN)

Models in Saridegib (USAN)

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
SNV(SMO D473H) gene 22550175 BRAIN Medulloblastoma (MBL) Saridegib sensitivity in vivo
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