Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000309
Inhibitor ClassAnilino-pyrido-pyrimidine
Molecule Name in Refrence Article35 compound
IUPAC NameN-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-4-(morpholin-4-yl)but-2-ynamide
FormulaC21H18ClFN6O2
Mass440.858
Exact Mass440.1163798
Composition C (57.21%), H (4.12%), Cl (8.04%), F (4.31%), N (19.06%), O (7.26%)
Atom Count49
PI8.32
SmilesN1(CCOCC1)CC#CC(=O)Nc1cc2c(cn1)ncnc2Nc1ccc(c(c1)Cl)F
InChI1S/C21H18ClFN6O2/c22-16-10-14(3-4-17(16)23)27-21-15-11-19(24-12-18(15)25-13-26-21)28-20(30)2-1-5-29-
6-8-31-9-7-29/h3-4,10-13H,5-9H2,(H,24,28,30)(H,25,26,27)
InChIKeyQTRVZMFRXOALDJ-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
Reference16480284
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 11539461
Drug Bank Link -
ChemSpider Link 9714240
ChEMBL Link CHEMBL202556
 
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