iGMDRD739

Canonical SMILES: CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl

InChI: InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)

InChI Key: VERWOWGGCGHDQE-UHFFFAOYSA-N

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Standard Name
CHEMBL
Pubchem CID
DRUGBANK ID
Drug Status
Drug Type
Standard NameCeritinib
CHEMBLCHEMBL2403108
Pubchem CID57379300
DRUGBANK IDDB09063
Drug StatusAlone
Drug TypeSmall Molecule


Drug Targets:

ALK (Q9UM73)

Drug-model tissue-cancer distribution: Bubble Plot

LUNtissue: LUN cancer: LUNG model num: 0LUNGtissue: LUNG cancer: Lung Adenocarcinoma (LUAD) model num: 12LUNGtissue: LUNG cancer: Non-Small Cell Lung Cancer (NSCLC) model num: 19LUNGtissue: LUNG cancer: Adenoid Cystic Carcinoma of the Lung (LUACC) model num: 7BOWEtissue: BOWE cancer: BOWEL model num: 0BOWELtissue: BOWEL cancer: Colorectal Adenocarcinoma (COADREAD) model num: 3BOWELtissue: BOWEL cancer: Colorectal Cancer model num: 2SOFT_TISSUtissue: SOFT_TISSU cancer: SOFT_TISSUE model num: 0SOFT_TISSUEtissue: SOFT_TISSUE cancer: Inflammatory Myofibroblastic Tumor (IMT) model num: 3SOFT_TISSUEtissue: SOFT_TISSUE cancer: Soft Tissue Sarcoma model num: 3BLOOtissue: BLOO cancer: BLOOD model num: 0BLOODtissue: BLOOD cancer: Leukemia (LEUK) model num: 1OTHEtissue: OTHE cancer: OTHER model num: 0OTHERtissue: OTHER cancer: Cancer of Unknown Primary (CUP) model num: 8

Drug-gene pathway enrichments

1wikipathways: Differentiation Pathway1wikipathways: MET in type 1 papillary renal cell carcinoma1kegg: Non-small cell lung cancer - Homo sapiens (human)1kegg: Pathways in cancer - Homo sapiens (human)1wikipathways: NAD metabolism, sirtuins and aging1wikipathways: Spinal Cord Injury

Drug-gene GO enrichments

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
238 ALK 36
6098 ROS1 1
Showing 1 to 2 of 2 rows

Gene in drug-gene network: Network Plot

Models in Ceritinib

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Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
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