Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001527
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article7b compound
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-[3-(piperidin-1-yl)prop-1-yn-1-yl]quinazolin-4-amine
FormulaC22H20ClFN4
Mass394.872
Exact Mass394.1360526
Composition C (66.92%), H (5.11%), Cl (8.98%), F (4.81%), N (14.19%)
Atom Count48
PI11.87
Smilesc12c(ccc(c1)C#CCN1CCCCC1)ncnc2Nc1ccc(c(c1)Cl)F
InChI1S/C22H20ClFN4/c23-19-14-17(7-8-20(19)24)27-22-18-13-16(6-9-21(18)25-15-26-22)5-4-12-28-10-2-1-3-11-
28/h6-9,13-15H,1-3,10-12H2,(H,25,26,27)
InChIKeyVVYBHXQAVZOHKY-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 44442149
Drug Bank Link -
ChemSpider Link 23306727
ChEMBL Link CHEMBL251700
 
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