Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003256
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article1n compound
IUPAC Name{3-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl}methanol
FormulaC20H18N4O2
Mass346.3825
Exact Mass346.1429758
Composition C (69.35%), H (5.24%), N (16.17%), O (9.24%)
Atom Count44
PI11.06
Smilesn1cnc2c(c1N)c(cn2c1cccc(c1)CO)c1cc(ccc1)OC
InChI1S/C20H18N4O2/c1-26-16-7-3-5-14(9-16)17-10-24(15-6-2-4-13(8-15)11-25)20-18(17)19(21)22-12-23-20/h2-1
0,12,25H,11H2,1H3,(H2,21,22,23)
InChIKeyDHKJMXHLKKNTKJ-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
Reference10853665
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesKdr | CDC2 | v-Abl | c-Src | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 18932096
ChEMBL Link CHEMBL176815
 
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