Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003151
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article35 compound
IUPAC Name8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[1-(1-propylpiperidin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}amino)quinoline-3-carbonitrile
FormulaC27H27Cl2FN8
Mass553.461
Exact Mass552.1719765
Composition C (58.59%), H (4.92%), Cl (12.81%), F (3.43%), N (20.25%)
Atom Count65
PI13.39
SmilesC(Nc1cc(c2c(c1)c(c(cn2)C#N)Nc1ccc(c(c1)Cl)F)Cl)c1cn(nn1)C1CCN(CC1)CCC
InChI1S/C27H27Cl2FN8/c1-2-7-37-8-5-21(6-9-37)38-16-20(35-36-38)15-32-19-10-22-26(34-18-3-4-25(30)23(28)11
-18)17(13-31)14-33-27(22)24(29)12-19/h3-4,10-12,14,16,21,32H,2,5-9,15H2,1H3,(H,33,34)
InChIKeyDATRTCJGCFQUHH-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
Reference19464884
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesMK2 | P38 | PKA | CAMKII | SRC | ALL
Pub Chem Link 44143371
Drug Bank Link -
ChemSpider Link 24706336
ChEMBL Link CHEMBL495617
 
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