iGMDRD575

Canonical SMILES: CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6

InChI: InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)

InChI Key: HAYYBYPASCDWEQ-UHFFFAOYSA-N

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Standard Name
CHEMBL
Pubchem CID
DRUGBANK ID
Drug Status
Drug Type
Standard NameEntrectinib
CHEMBLCHEMBL1983268
Pubchem CID25141100
DRUGBANK IDDB11986
Drug StatusAlone
Drug TypeSmall Molecule

Drug-model tissue-cancer distribution: Bubble Plot

BOWEtissue: BOWE cancer: BOWEL model num: 0BOWELtissue: BOWEL cancer: Colorectal Adenocarcinoma (COADREAD) model num: 5BOWELtissue: BOWEL cancer: Colorectal Cancer model num: 2LUNtissue: LUN cancer: LUNG model num: 0LUNGtissue: LUNG cancer: Non-Small Cell Lung Cancer (NSCLC) model num: 1HEAD_NECtissue: HEAD_NEC cancer: HEAD_NECK model num: 0HEAD_NECKtissue: HEAD_NECK cancer: Salivary Carcinoma (SACA) model num: 1HEAD_NECKtissue: HEAD_NECK cancer: Salivary Adenocarcinoma (SAAD) model num: 17BREAStissue: BREAS cancer: BREAST model num: 0BREASTtissue: BREAST cancer: Breast Carcinoma model num: 1

Drug-gene pathway enrichments

4reactome: Signaling by Receptor Tyrosine Kinases4reactome: Signaling by NTRKs4reactome: Signal Transduction2reactome: ARMS-mediated activation2reactome: PI3K/AKT activation2reactome: Frs2-mediated activation2reactome: Prolonged ERK activation events2reactome: Retrograde neurotrophin signalling2reactome: Signalling to ERKs2reactome: Signaling by NTRK1 (TRKA)

Drug-gene GO enrichments

4CC: receptor complex4MF: transmembrane receptor protein tyrosine kinase activity4BP: cellular response to nerve growth factor stimulus4MF: neurotrophin binding4CC: integral component of plasma membrane3MF: protein tyrosine kinase activity3CC: cytoplasm3CC: axon3MF: neurotrophin receptor activity3CC: plasma membrane

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
4914 NTRK1 2
4916 NTRK3 1
Showing 1 to 2 of 2 rows

Gene in drug-gene network: Network Plot

Models in Entrectinib

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Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
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