Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004435
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article6g compound
IUPAC Name4-N-(3-chlorophenyl)-6-N-[(2-chlorophenyl)methyl]quinazoline-4,6-diamine
FormulaC21H16Cl2N4
Mass395.285
Exact Mass394.0752019
Composition C (63.81%), H (4.08%), Cl (17.94%), N (14.17%)
Atom Count43
PI10.48
Smilesn1cnc(c2c1ccc(c2)NCc1c(cccc1)Cl)Nc1cc(ccc1)Cl
InChI1S/C21H16Cl2N4/c22-15-5-3-6-17(10-15)27-21-18-11-16(8-9-20(18)25-13-26-21)24-12-14-4-1-2-7-19(14)23/
h1-11,13,24H,12H2,(H,25,26,27)
InChIKeyQBUABODADSHDMP-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
Reference22112541
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 57400660
Drug Bank Link -
ChemSpider Link 28480562
ChEMBL Link CHEMBL1928891
 
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