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iGMDRD739

Canonical SMILES: CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl

InChI: InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)

InChI Key: VERWOWGGCGHDQE-UHFFFAOYSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
Ceritinib	CHEMBL2403108	57379300	DB09063	Alone	Small Molecule

Drug Class:

Antineoplastic Agents Antineoplastic and Immunomodulating Agents Bradycardia-Causing Agents Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Inhibitors (strong)Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strong)Cytochrome P-450 Enzyme Inhibitors Enzyme Inhibitors Heterocyclic Compounds Heterocyclic Compounds, 1-Ring Hyperglycemia-Associated Agents Kinase Inhibitor Moderate Risk QTc-Prolonging Agents P-glycoprotein/ABCB1 Substrates Protein Kinase Inhibitors QTc Prolonging Agents Receptor Protein-Tyrosine Kinases, antagonists & inhibitors Sulfur Compounds

Drug Targets:

ALK (Q9UM73)

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.
238	ALK	36
6098	ROS1	1

Gene in drug-gene network: Network Plot

Models in Ceritinib

SITE

DATATYPES

CLASSFICATION

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