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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

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
Crizotinib and vemurafenib (in BRAF V600E mutated)	CHEMBL601719	11626600	DB08865	Combination	Small 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

Gene ID	Gene Name	Model Num.
8731	RNMT	1

Gene in drug-gene network: Network Plot

Models in Crizotinib and vemurafenib (in BRAF V600E mutated)

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DATATYPES

CLASSFICATION

Disclaimer: iGMDR is intended for research purposes only. Its information cannot be used for emergencies or medical or professional advice.