Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002333
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article3 compound
IUPAC Name2-imino-5-[(1Z)-2-(2-methoxyphenyl)-3-methylbut-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
SmilesCC(C)/C(=C/c1coc2c1c(N)[nH]c(=N)n2)/c1ccccc1OC
InChI1S/C18H20N4O2/c1-10(2)13(12-6-4-5-7-14(12)23-3)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h4-10H,1-3H3,
(H4,19,20,21,22)/b13-8-
InChIKeyZBHMLBFDTQKTKI-JYRVWZFOSA-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 enzymesVEGFR2 | PDGFR beta | DHFR human | ALL
Pub Chem Link 44246320
Drug Bank Link -
ChemSpider Link 24649173
ChEMBL Link CHEMBL594810
 
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