Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002328
Inhibitor ClassTriazene
Molecule Name in Refrence Article6 (ZRL4)
IUPAC Name(6E)-6-N-({[(chloromethoxy)carbonyl](methyl)amino}imino)-4-N-(3-chlorophenyl)quinazoline-4,6-diamine
FormulaC17H14Cl2N6O2
Mass405.238
Exact Mass404.0555291
Composition C (50.39%), H (3.48%), Cl (17.5%), N (20.74%), O (7.9%)
Atom Count41
PI9.03
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)/N=N/N(C(=O)OCCl)C
InChI1S/C17H14Cl2N6O2/c1-25(17(26)27-9-18)24-23-13-5-6-15-14(8-13)16(21-10-20-15)22-12-4-2-3-11(19)7-12/h
2-8,10H,9H2,1H3,(H,20,21,22)/b24-23+
InChIKeyCEJANPMZSKHVCI-WCWDXBQESA-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
Reference19665377
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 12643540
Drug Bank Link -
ChemSpider Link 24641520
ChEMBL Link CHEMBL583683
 
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