iGMDRD540

Canonical SMILES: COC1=C(C(=CC=C1)F)C2=NCC3=CN=C(N=C3C4=C2C=C(C=C4)Cl)NC5=CC(=C(C=C5)C(=O)O)OC

InChI: InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)

InChI Key: ZLHFILGSQDJULK-UHFFFAOYSA-N

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Standard Name
CHEMBL
Pubchem CID
DRUGBANK ID
Drug Status
Drug Type
Standard NameAlisertib
CHEMBLCHEMBL3586471 CHEMBL483158 CHEMBL2103871
Pubchem CID24771900
DRUGBANK IDDB05220
Drug StatusAlone
Drug TypeSmall Molecule


Drug Targets:

AURKA (O14965)

Drug-model tissue-cancer distribution: Bubble Plot

LUNtissue: LUN cancer: LUNG model num: 0LUNGtissue: LUNG cancer: undefined model num: 2PANCREAtissue: PANCREA cancer: PANCREAS model num: 0PANCREAStissue: PANCREAS 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: 1undefinetissue: undefine cancer: undefined model num: 0undefinedtissue: undefined cancer: PANCAN model num: 12STOMACtissue: STOMAC cancer: STOMACH model num: 0STOMACHtissue: STOMACH cancer: Esophageal Adenocarcinoma (ESCA) model num: 1

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
2956 MSH6 1
4170 MCL1 1
2625 GATA3 1
5159 PDGFRB 1
Showing 1 to 4 of 11 rows rows per page

Gene in drug-gene network: Network Plot

Models in Alisertib

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Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
No matching records found

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