Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001519
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article5c compound
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(2-phenylethynyl)quinazolin-4-amine
FormulaC22H13ClFN3
Mass373.81
Exact Mass373.0782033
Composition C (70.69%), H (3.51%), Cl (9.48%), F (5.08%), N (11.24%)
Atom Count40
PI9.92
Smilesc12c(ccc(c1)C#Cc1ccccc1)ncnc2Nc1ccc(c(c1)Cl)F
InChI1S/C22H13ClFN3/c23-19-13-17(9-10-20(19)24)27-22-18-12-16(8-11-21(18)25-14-26-22)7-6-15-4-2-1-3-5-15/
h1-5,8-14H,(H,25,26,27)
InChIKeyAFYKJRQINKZASH-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
Reference17889528
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 44442129
Drug Bank Link -
ChemSpider Link 23306706
ChEMBL Link CHEMBL249511
 
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