Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003426
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article23 compound
IUPAC Name3-(2-chloroethyl)-1-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-1-methyl-3-nitrosourea
FormulaC18H16Cl2N6O2
Mass419.265
Exact Mass418.0711792
Composition C (51.56%), H (3.85%), Cl (16.91%), N (20.04%), O (7.63%)
Atom Count44
PI9.7
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)N(C(=O)N(N=O)CCCl)C
InChI1S/C18H16Cl2N6O2/c1-25(18(27)26(24-28)8-7-19)14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(20)9-1
3/h2-6,9-11H,7-8H2,1H3,(H,21,22,23)
InChIKeyGBANDHWBCXOTHA-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
Reference16759097
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 11683171
Drug Bank Link -
ChemSpider Link 9857899
ChEMBL Link CHEMBL210378
 
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