Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002340
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article10 compound
IUPAC Name5-[(2R)-2-cyclopropyl-2-(2-methoxyphenyl)ethyl]furo[2,3-d]pyrimidine-2,4-diamine
FormulaC18H20N4O2
Mass324.377
Exact Mass324.1586259
Composition C (66.65%), H (6.21%), N (17.27%), O (9.86%)
Atom Count44
PI10.22
Smilesn1c(nc2c(c1N)c(co2)C[C@H](C1CC1)c1ccccc1OC)N
InChI1S/C18H20N4O2/c1-23-14-5-3-2-4-12(14)13(10-6-7-10)8-11-9-24-17-15(11)16(19)21-18(20)22-17/h2-5,9-10,
13H,6-8H2,1H3,(H4,19,20,21,22)/t13-/m1/s1
InChIKeyABOUXXMKTJTICI-CYBMUJFWSA-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 23240660
Drug Bank Link -
ChemSpider Link 24652233
ChEMBL Link CHEMBL603198
 
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