Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002332
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article2 compound
IUPAC Name2-imino-5-[(1Z)-2-(2-methoxyphenyl)pent-1-en-1-yl]-2H,3H-furo[2,3-d]pyrimidin-4-amine
FormulaC18H20N4O2
Mass324.377
Exact Mass324.1586259
Composition C (66.65%), H (6.21%), N (17.27%), O (9.86%)
Atom Count44
PI12.74
SmilesCCC/C(=C/c1coc2c1c(N)[nH]c(=N)n2)/c1ccccc1OC
InChI1S/C18H20N4O2/c1-3-6-11(13-7-4-5-8-14(13)23-2)9-12-10-24-17-15(12)16(19)21-18(20)22-17/h4-5,7-10H,3,
6H2,1-2H3,(H4,19,20,21,22)/b11-9-
InChIKeyQRIUQJQGVYRORZ-LUAWRHEFSA-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
Reference19748785
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesDHFR human | PDGFR beta | VEGFR2 | ALL
Pub Chem Link 44246319
Drug Bank Link -
ChemSpider Link 26353607 26326512
ChEMBL Link CHEMBL595497
 
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