Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004097
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article6c compound
IUPAC Name6-[(1E)-3-{2-[(2-chloroethyl)(4-methoxyphenyl)amino]ethyl}triaz-1-en-1-yl]-N-(3-chlorophenyl)quinazolin-4-amine
FormulaC25H25Cl2N7O
Mass510.418
Exact Mass509.1497639
Composition C (58.83%), H (4.94%), Cl (13.89%), N (19.21%), O (3.13%)
Atom Count60
PI9.19
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)/N=N/NCCN(CCCl)c1ccc(cc1)OC
InChI1S/C25H25Cl2N7O/c1-35-22-8-6-21(7-9-22)34(13-11-26)14-12-30-33-32-20-5-10-24-23(16-20)25(29-17-28-24
)31-19-4-2-3-18(27)15-19/h2-10,15-17H,11-14H2,1H3,(H,30,32)(H,28,29,31)
InChIKeyRHDJKVOUEVEVHF-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
Reference17472358
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 16719967
Drug Bank Link -
ChemSpider Link 17624339
ChEMBL Link CHEMBL388286
 
TOP