Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001280
Inhibitor ClassNaphthyridine
Molecule Name in Refrence Article24 compound
IUPAC Name4-[(3-bromophenyl)amino]-6-[2-(dimethylamino)ethoxy]-1,7-naphthyridine-3-carbonitrile
FormulaC19H18BrN5O
Mass412.283
Exact Mass411.0694729
Composition C (55.35%), H (4.4%), Br (19.38%), N (16.99%), O (3.88%)
Atom Count44
PI12.5
Smilesc12c(cnc(c1)OCCN(C)C)ncc(c2Nc1cc(ccc1)Br)C#N
InChI1S/C19H18BrN5O/c1-25(2)6-7-26-18-9-16-17(12-23-18)22-11-13(10-21)19(16)24-15-5-3-4-14(20)8-15/h3-5,8
-9,11-12H,6-7H2,1-2H3,(H,22,24)
InChIKeyJOJWRSKVHPYAGI-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
Reference15006373
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 18548938
Drug Bank Link -
ChemSpider Link 13295691
ChEMBL Link CHEMBL31118
 
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