Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002331
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article1b compound
IUPAC Name5-[(1Z)-2-(2-methoxyphenyl)prop-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine
FormulaC16H16N4O2
Mass296.3238
Exact Mass296.1273258
Composition C (64.85%), H (5.44%), N (18.91%), O (10.8%)
Atom Count38
PI10.1
Smilesn1c(nc2c(c1N)c(co2)/C=C(/C)c1ccccc1OC)N
InChI1S/C16H16N4O2/c1-9(11-5-3-4-6-12(11)21-2)7-10-8-22-15-13(10)14(17)19-16(18)20-15/h3-8H,1-2H3,(H4,17,
18,19,20)/b9-7-
InChIKeyJXICVPBZQSPDOK-CLFYSBASSA-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 | DHFR human | PDGFR beta | ALL
Pub Chem Link 11687971
Drug Bank Link -
ChemSpider Link 9862698
ChEMBL Link CHEMBL606039
 
TOP