iGMDRD447

Canonical SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4CCCCC4

InChI: InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+

InChI Key: LVXJQMNHJWSHET-AATRIKPKSA-N

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Standard Name
CHEMBL
Pubchem CID
DRUGBANK ID
Drug Status
Drug Type
Standard NameDacomitinib
CHEMBLCHEMBL2110732 CHEMBL2105719
Pubchem CID11511100
DRUGBANK IDDB11963
Drug StatusAlone
Drug TypeSmall Molecule

Drug-model tissue-cancer distribution: Bubble Plot

LUNtissue: LUN cancer: LUNG model num: 0LUNGtissue: LUNG cancer: Non-Small Cell Lung Cancer (NSCLC) model num: 26LUNGtissue: LUNG cancer: Lung Adenocarcinoma (LUAD) model num: 2BRAItissue: BRAI cancer: BRAIN model num: 0BRAINtissue: BRAIN cancer: Glioblastoma Multiforme (GBM) model num: 1

Drug-gene pathway enrichments

5reactome: Signal Transduction4reactome: SHC1 events in ERBB2 signaling4reactome: Signaling by ERBB24reactome: Signaling by Receptor Tyrosine Kinases3kegg: PI3K-Akt signaling pathway - Homo sapiens (human)3reactome: Negative regulation of the PI3K/AKT network3wikipathways: Endometrial cancer3reactome: Gene expression (Transcription)3reactome: RNA Polymerase II Transcription3kegg: Breast cancer - Homo sapiens (human)

Drug-gene GO enrichments

9MF: protein tyrosine kinase activity6CC: plasma membrane5CC: receptor complex5CC: cytoplasm5BP: positive regulation of ERK1 and ERK2 cascade4BP: negative regulation of apoptotic process4MF: epidermal growth factor-activated receptor activity4MF: transmembrane receptor protein tyrosine kinase activity4MF: transmembrane signaling receptor activity3BP: epidermal growth factor receptor signaling pathway

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
2064 ERBB2 7
1956 EGFR 21
5728 PTEN 1
Showing 1 to 3 of 3 rows

Gene in drug-gene network: Network Plot

Models in Dacomitinib

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Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
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