iGMDRD754

Canonical SMILES: CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC

InChI: InChI=1S/C29H39ClN7O2P/c1-35-15-17-37(18-16-35)21-11-13-36(14-12-21)22-9-10-24(26(19-22)39-2)33-29-31-20-23(30)28(34-29)32-25-7-5-6-8-27(25)40(3,4)38/h5-10,19-21H,11-18H2,1-4H3,(H2,31,32,33,34)

InChI Key: AILRADAXUVEEIR-UHFFFAOYSA-N

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Standard Name
CHEMBL
Pubchem CID
DRUGBANK ID
Drug Status
Drug Type
Standard NameBrigatinib
CHEMBLCHEMBL3545311
Pubchem CID68165300
DRUGBANK IDDB12267
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: 6BRAItissue: BRAI cancer: BRAIN model num: 0BRAINtissue: BRAIN cancer: Neuroblastoma (NBL) model num: 1OTHEtissue: OTHE cancer: OTHER model num: 0OTHERtissue: OTHER cancer: Cancer of Unknown Primary (CUP) model num: 2

Drug-gene pathway enrichments

1wikipathways: Spinal Cord Injury1wikipathways: NAD metabolism, sirtuins and aging1wikipathways: MET in type 1 papillary renal cell carcinoma1wikipathways: Differentiation Pathway1kegg: Non-small cell lung cancer - Homo sapiens (human)1kegg: Pathways in cancer - Homo sapiens (human)

Drug-gene GO enrichments

5MF: transmembrane receptor protein tyrosine kinase activity4MF: protein tyrosine kinase activity4CC: integral component of plasma membrane3BP: cell differentiation2BP: positive regulation of ERK1 and ERK2 cascade2BP: positive regulation of protein phosphorylation2BP: transmembrane receptor protein tyrosine kinase signaling pathway2BP: negative regulation of apoptotic process2BP: negative regulation of signal transduction2BP: positive regulation of kinase activity

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
238 ALK 8
6098 ROS1 1
Showing 1 to 2 of 2 rows

Gene in drug-gene network: Network Plot

Models in Brigatinib

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Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
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