Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002323
Inhibitor ClassTriazene
Molecule Name in Refrence ArticleRB107
IUPAC Name[(2E)-3-{4-[(3-chlorophenyl)amino]quinazolin-6-yl}-1-methyltriaz-2-en-1-yl]methyl acetate
FormulaC18H17ClN6O2
Mass384.82
Exact Mass384.1101515
Composition C (56.18%), H (4.45%), Cl (9.21%), N (21.84%), O (8.32%)
Atom Count44
PI9.04
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)/N=N/N(COC(=O)C)C
InChI1S/C18H17ClN6O2/c1-12(26)27-11-25(2)24-23-15-6-7-17-16(9-15)18(21-10-20-17)22-14-5-3-4-13(19)8-14/h3
-10H,11H2,1-2H3,(H,20,21,22)/b24-23+
InChIKeyFNYQNCJFPUACPB-WCWDXBQESA-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24635021
ChEMBL Link CHEMBL571809
 
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