Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003427
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article24 compound
IUPAC Name1-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(2-chloroethyl)-1-methyl-3-nitrosourea
FormulaC18H16BrClN6O2
Mass463.716
Exact Mass462.0206641
Composition C (46.62%), H (3.48%), Br (17.23%), Cl (7.65%), N (18.12%), O (6.9%)
Atom Count44
PI9.75
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)N(C(=O)N(N=O)CCCl)C
InChI1S/C18H16BrClN6O2/c1-25(18(27)26(24-28)8-7-20)14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(19)9-
13/h2-6,9-11H,7-8H2,1H3,(H,21,22,23)
InChIKeyZLJXNOJTRKIARN-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 11554463
Drug Bank Link -
ChemSpider Link 9729241
ChEMBL Link CHEMBL210893
 
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