Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003423
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article20 compound
IUPAC Name3-(2-chloroethyl)-1-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-3-nitrosourea
FormulaC17H14Cl2N6O2
Mass405.238
Exact Mass404.0555291
Composition C (50.39%), H (3.48%), Cl (17.5%), N (20.74%), O (7.9%)
Atom Count41
PI7.87
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)NC(=O)N(N=O)CCCl
InChI1S/C17H14Cl2N6O2/c18-6-7-25(24-27)17(26)23-13-4-5-15-14(9-13)16(21-10-20-15)22-12-3-1-2-11(19)8-12/h
1-5,8-10H,6-7H2,(H,23,26)(H,20,21,22)
InChIKeyUERRLLRAXBKLET-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 11589515
Drug Bank Link -
ChemSpider Link 9764279
ChEMBL Link CHEMBL210659
 
TOP