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iGMDRD790

Canonical SMILES: CC(C)(CNC1=NC(=NC(=N1)NC2=CC(=NC=C2)C(F)(F)F)C3=NC(=CC=C3)C(F)(F)F)O

InChI: InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)

InChI Key: DYLUUSLLRIQKOE-UHFFFAOYSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
AG-221	CHEMBL3989908	89683800	DB13874	Alone	Small Molecule

Drug Class:

Amines BCRP/ABCG2 Inhibitors BCRP/ABCG2 Substrates Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Heterocyclic Compounds Heterocyclic Compounds, 1-Ring Isocitrate Dehydrogenase 2 Inhibitor P-glycoprotein/ABCB1 Inhibitors Pyridines UGT1A1 Inhibitors UGT1A1 Substrates

Drug Targets:

IDH2 (P48735)

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.
3418	IDH2	7

Gene in drug-gene network: Network Plot

Models in AG-221

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DATATYPES

CLASSFICATION

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