Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000845
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article8 compound
IUPAC Name4-[(3-bromophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
FormulaC18H14BrN3O2
Mass384.227
Exact Mass383.0269394
Composition C (56.27%), H (3.67%), Br (20.8%), N (10.94%), O (8.33%)
Atom Count38
PI10.79
Smilesc12c(cc(c(c1)OC)OC)ncc(c2Nc1cccc(c1)Br)C#N
InChI1S/C18H14BrN3O2/c1-23-16-7-14-15(8-17(16)24-2)21-10-11(9-20)18(14)22-13-5-3-4-12(19)6-13/h3-8,10H,1-
2H3,(H,21,22)
InChIKeyCQKFTSMPIIYOBX-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
Reference10966743
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328840
Drug Bank Link -
ChemSpider Link 4486002
ChEMBL Link CHEMBL111038
 
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