Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000853
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article16 compound
IUPAC Name4-[(3-aminophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
FormulaC18H16N4O2
Mass320.3452
Exact Mass320.1273258
Composition C (67.49%), H (5.03%), N (17.49%), O (9.99%)
Atom Count40
PI11.25
Smilesc12c(cc(c(c1)OC)OC)ncc(c2Nc1cccc(c1)N)C#N
InChI1S/C18H16N4O2/c1-23-16-7-14-15(8-17(16)24-2)21-10-11(9-19)18(14)22-13-5-3-4-12(20)6-13/h3-8,10H,20H2
,1-2H3,(H,21,22)
InChIKeyMZQKSJFIOAVZJR-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 5328848
Drug Bank Link -
ChemSpider Link 4486010
ChEMBL Link CHEMBL110036
 
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