Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003152
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article36 compound
IUPAC Name8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-6-[({1-[1-(propan-2-yl)piperidin-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
PI13.37
SmilesC(Nc1cc(c2c(c1)c(c(cn2)C#N)Nc1ccc(c(c1)Cl)F)Cl)c1cn(nn1)C1CCN(CC1)C(C)C
InChI1S/C27H27Cl2FN8/c1-16(2)37-7-5-21(6-8-37)38-15-20(35-36-38)14-32-19-9-22-26(34-18-3-4-25(30)23(28)10
-18)17(12-31)13-33-27(22)24(29)11-19/h3-4,9-11,13,15-16,21,32H,5-8,14H2,1-2H3,(H,33,34)
InChIKeyGBYSPHCOZHPPFX-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 enzymesMK2 | PKA | SRC | P38 | CAMKII | ALL
Pub Chem Link 44143372
Drug Bank Link -
ChemSpider Link 24719630
ChEMBL Link CHEMBL523059
 
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