Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002335
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article5 compound
IUPAC Name2-imino-5-[(1Z)-2-(2-methoxyphenyl)hex-1-en-1-yl]-2H,3H-furo[2,3-d]pyrimidin-4-amine
FormulaC19H22N4O2
Mass338.4036
Exact Mass338.174276
Composition C (67.44%), H (6.55%), N (16.56%), O (9.46%)
Atom Count47
PI12.76
SmilesCCCC/C(=C/c1coc2c1c(N)[nH]c(=N)n2)/c1ccccc1OC
InChI1S/C19H22N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-11H
,3-4,7H2,1-2H3,(H4,20,21,22,23)/b12-10-
InChIKeyOJEFVGFDNJBOHB-BENRWUELSA-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
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Reported activity against other enzymesVEGFR2 | PDGFR beta | DHFR human | ALL
Pub Chem Link 44246322
Drug Bank Link -
ChemSpider Link 26353758 25058842
ChEMBL Link CHEMBL604879
 
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