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iGMDRD677

Canonical SMILES: CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C

InChI: InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)

InChI Key: LQBVNQSMGBZMKD-UHFFFAOYSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
ABT-199 (GDC-0199)	CHEMBL3137309	49846600	DB11581	Alone	Small Molecule

Drug Class:

Amides Antineoplastic Agents BCL-2 Inhibitor BCRP/ABCG2 Substrates Bicyclo Compounds Bridged Compounds Heterocyclic Compounds Heterocyclic Compounds, 2-Ring Heterocyclic Compounds, Bridged-Ring Hydrocarbons Hydrocarbons, Cyclic P-glycoprotein/ABCB1 Substrates Polycyclic Compounds Sulfones Sulfur Compounds

Drug Targets:

BCL2 (P10415)

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	1
2322	FLT3	1
3417	IDH1	1
7301	TYRO3	1

Gene in drug-gene network: Network Plot

Models in ABT-199 (GDC-0199)

SITE

DATATYPES

CLASSFICATION

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