Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003153
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article37 compound
IUPAC Name8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-({[1-(1-cyclobutylpiperidin-4-yl)-1H-1,2,3-triazol-4-yl]methyl}amino)quinoline-3-carbonitrile
FormulaC28H27Cl2FN8
Mass565.472
Exact Mass564.1719765
Composition C (59.47%), H (4.81%), Cl (12.54%), F (3.36%), N (19.82%)
Atom Count66
PI13.37
SmilesC(Nc1cc(c2c(c1)c(c(cn2)C#N)Nc1ccc(c(c1)Cl)F)Cl)c1cn(nn1)[C@@H]1CCN(CC1)C1CCC1
InChI1S/C28H27Cl2FN8/c29-24-11-18(4-5-26(24)31)35-27-17(13-32)14-34-28-23(27)10-19(12-25(28)30)33-15-20-1
6-39(37-36-20)22-6-8-38(9-7-22)21-2-1-3-21/h4-5,10-12,14,16,21-22,33H,1-3,6-9,15H2,(H,34,35)
InChIKeyYGHNIYXOYMJYDH-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
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Reported activity against other enzymesSrc | PKA | MK2 | P38 | CAMKII | ALL
Pub Chem Link 44143373
Drug Bank Link -
ChemSpider Link 24711086
ChEMBL Link CHEMBL501709
 
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