Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002407
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article20 compound
IUPAC NameN-(3-ethynylphenyl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC22H18N4
Mass338.4051
Exact Mass338.1531466
Composition C (78.08%), H (5.36%), N (16.56%)
Atom Count44
PI10
Smilesn1cnc2c(c1Nc1cc(ccc1)C#C)cc([nH]2)CCc1ccccc1
InChI1S/C22H18N4/c1-2-16-9-6-10-18(13-16)25-21-20-14-19(26-22(20)24-15-23-21)12-11-17-7-4-3-5-8-17/h1,3-1
0,13-15H,11-12H2,(H2,23,24,25,26)
InChIKeyRUBUJOVRIQWQIZ-UHFFFAOYSA-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
Reference20403693
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesPDGFR beta | VEGFR1 | VEGFR2 | ALL
Pub Chem Link 46887298
Drug Bank Link -
ChemSpider Link 24679424
ChEMBL Link CHEMBL1096972
 
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