Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001281
Inhibitor ClassNaphthyridine
Molecule Name in Refrence Article25 compound
IUPAC Name4-[(3-chloro-4-fluorophenyl)amino]-6-[2-(dimethylamino)ethoxy]-1,7-naphthyridine-3-carbonitrile
FormulaC19H17ClFN5O
Mass385.823
Exact Mass385.1105661
Composition C (59.15%), H (4.44%), Cl (9.19%), F (4.92%), N (18.15%), O (4.15%)
Atom Count44
PI12.52
Smilesc12c(cnc(c1)OCCN(C)C)ncc(c2Nc1cc(c(cc1)F)Cl)C#N
InChI1S/C19H17ClFN5O/c1-26(2)5-6-27-18-8-14-17(11-24-18)23-10-12(9-22)19(14)25-13-3-4-16(21)15(20)7-13/h3
-4,7-8,10-11H,5-6H2,1-2H3,(H,23,25)
InChIKeyOCSKDLSKHJPMJJ-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 18548951
Drug Bank Link -
ChemSpider Link 13295708
ChEMBL Link CHEMBL31437
 
TOP