Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004103
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article10 compound
IUPAC Name4-[(3-chloro-4-fluorophenyl)amino]-8-fluoro-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile
FormulaC20H13ClF2N6
Mass410.807
Exact Mass410.0858286
Composition C (58.47%), H (3.19%), Cl (8.63%), F (9.25%), N (20.46%)
Atom Count42
PI9.57
SmilesC(Nc1cc(c2c(c1)c(c(cn2)C#N)Nc1ccc(c(c1)Cl)F)F)c1c[nH]cn1
InChI1S/C20H13ClF2N6/c21-16-4-12(1-2-17(16)22)29-19-11(6-24)7-27-20-15(19)3-13(5-18(20)23)26-9-14-8-25-10
-28-14/h1-5,7-8,10,26H,9H2,(H,25,28)(H,27,29)
InChIKeyGRPUCYCKBBWGEO-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
Reference17715908
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesTpl3 |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23288989
ChEMBL Link CHEMBL245212
 
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