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iGMDRD457

Canonical SMILES: CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N

InChI: InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1

InChI Key: KTEIFNKAUNYNJU-GFCCVEGCSA-N

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Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
Standard NameCrizotinib and vemurafenib (in BRAF V600E mutated) CHEMBLCHEMBL601719 Pubchem CID11626600 DRUGBANK IDDB08865 Drug StatusCombination Drug TypeSmall Molecule

Drug Class:

Antineoplastic Agents Antineoplastic and Immunomodulating Agents Azoles Bradycardia-Causing Agents Combined Inhibitors of CYP3A4 and P-glycoprotein Combined Inhibitors of CYP3A4 and P-glycoprotein (Moderate)Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (moderate)Cytochrome P-450 Enzyme Inhibitors Enzyme Inhibitors Heterocyclic Compounds Heterocyclic Compounds, 1-Ring Kinase Inhibitor Moderate Risk QTc-Prolonging Agents P-glycoprotein/ABCB1 Inhibitors P-glycoprotein/ABCB1 Substrates Protein Kinase Inhibitors QTc Prolonging Agents

Drug Targets:

ALK (Q9UM73)MET (P08581))ROS1

Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot

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Gene ID	Gene Name	Model Num.
8731	RNMT	1

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Gene in drug-gene network: Network Plot

Models in Crizotinib and vemurafenib (in BRAF V600E mutated)

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	Model	Level	Reference ID	Tissue	Cancer	Drug	Clinical Response	Source
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