Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002324
Inhibitor ClassTriazene
Molecule Name in Refrence Article4 (ZRL1)
IUPAC Name(6E)-4-N-(3-chlorophenyl)-6-N-({[2-(dimethylamino)ethyl][(ethenyloxy)carbonyl]amino}imino)quinazoline-4,6-diamine
FormulaC21H22ClN7O2
Mass439.898
Exact Mass439.1523507
Composition C (57.34%), H (5.04%), Cl (8.06%), N (22.29%), O (7.27%)
Atom Count53
PI11.69
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)/N=N/N(C(=O)OC=C)CCN(C)C
InChI1S/C21H22ClN7O2/c1-4-31-21(30)29(11-10-28(2)3)27-26-17-8-9-19-18(13-17)20(24-14-23-19)25-16-7-5-6-15
(22)12-16/h4-9,12-14H,1,10-11H2,2-3H3,(H,23,24,25)/b27-26+
InChIKeyFCGLNNGWOXPGOR-CYYJNZCTSA-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24634034
ChEMBL Link CHEMBL572030
 
TOP