Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004857
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article4(Q:1,X:E)
IUPAC NameN-(2-benzyl-1H-1,3-benzodiazol-5-yl)quinazolin-4-amine
FormulaC22H17N5
Mass351.4039
Exact Mass351.1483956
Composition C (75.19%), H (4.88%), N (19.93%)
Atom Count44
PI9.9
Smilesc1cc(cc2c1[nH]c(n2)Cc1ccccc1)Nc1c2c(ncn1)cccc2
InChI1S/C22H17N5/c1-2-6-15(7-3-1)12-21-26-19-11-10-16(13-20(19)27-21)25-22-17-8-4-5-9-18(17)23-14-24-22/h
1-11,13-14H,12H2,(H,26,27)(H,23,24,25)
InChIKeyDTDOKRXSUWPVDY-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
Reference11378364
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 44279376
Drug Bank Link -
ChemSpider Link 23127523
ChEMBL Link CHEMBL32464
 
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