Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003174
Inhibitor ClassThieno-pyridine
Molecule Name in Refrence Article12 compound
IUPAC Name7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-{5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl}thieno[3,2-b]pyridine-6-carbonitrile
FormulaC26H24Cl2N6OS
Mass539.479
Exact Mass538.1109355
Composition C (57.89%), H (4.48%), Cl (13.14%), N (15.58%), O (2.97%), S (5.94%)
Atom Count60
PI10.97
Smilesc12sc(cc2ncc(c1Nc1cc(c(cc1Cl)Cl)OC)C#N)c1ncc(CN2CCN(CC2)C)cc1
InChI1S/C26H24Cl2N6OS/c1-33-5-7-34(8-6-33)15-16-3-4-20(30-13-16)24-11-22-26(36-24)25(17(12-29)14-31-22)32
-21-10-23(35-2)19(28)9-18(21)27/h3-4,9-11,13-14H,5-8,15H2,1-2H3,(H,31,32)
InChIKeyIBRPSHUYWHRYQA-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference16125383
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesAKT | CDK4 | IKK | PDK1 | Raf/MEK | Abl | Src | ALL
Pub Chem Link 5330420
Drug Bank Link -
ChemSpider Link 4487571
ChEMBL Link CHEMBL373101
 
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