Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000978
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article12 compound
IUPAC NameN-(3-fluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC14H13FN4
Mass256.2782
Exact Mass256.1124246
Composition C (65.61%), H (5.11%), F (7.41%), N (21.86%)
Atom Count32
PI10.41
Smilesn1cnc2c(c1Nc1cc(ccc1)F)c(c([nH]2)C)C
InChI1S/C14H13FN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyQQBKALJLRAEGBT-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
Reference8691423
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesc-Src | PKC alpha | v-Abl | ALL
Pub Chem Link 10729749
Drug Bank Link -
ChemSpider Link 8905082
ChEMBL Link CHEMBL308582
 
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