Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000876
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article39 compound
IUPAC Name4-[(3-azidophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
FormulaC18H14N6O2
Mass346.3428
Exact Mass346.1178237
Composition C (62.42%), H (4.07%), N (24.27%), O (9.24%)
Atom Count40
PI10.87
Smilesc12c(c(C#N)cnc1cc(c(c2)OC)OC)Nc1cc(N=[N+]=[N-])ccc1
InChI1S/C18H14N6O2/c1-25-16-7-14-15(8-17(16)26-2)21-10-11(9-19)18(14)22-12-4-3-5-13(6-12)23-24-20/h3-8,10
H,1-2H3,(H,21,22)
InChIKeyPVGQFSJIEXPGDS-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 5328871
Drug Bank Link -
ChemSpider Link 4486033
ChEMBL Link CHEMBL113535
 
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