Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001835
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article7 compound
IUPAC Name6-N-(2-chloroethyl)-4-N-(3-chlorophenyl)quinazoline-4,6-diamine
FormulaC16H14Cl2N4
Mass333.215
Exact Mass332.0595519
Composition C (57.67%), H (4.23%), Cl (21.28%), N (16.81%)
Atom Count36
PI10.48
Smilesc1(c2c(ncn1)ccc(c2)NCCCl)Nc1cc(Cl)ccc1
InChI1S/C16H14Cl2N4/c17-6-7-19-12-4-5-15-14(9-12)16(21-10-20-15)22-13-3-1-2-11(18)8-13/h1-5,8-10,19H,6-7H
2,(H,20,21,22)
InChIKeyRGZBNUZXRSSFQM-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
Reference15686928
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 44389468
Drug Bank Link -
ChemSpider Link 23245426
ChEMBL Link CHEMBL179451
 
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