Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000976
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article10 compound
IUPAC Name5,6-dimethyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC14H14N4
Mass238.2878
Exact Mass238.1218465
Composition C (70.57%), H (5.92%), N (23.51%)
Atom Count32
PI10.46
Smilesn1cnc2c(c1Nc1ccccc1)c(c([nH]2)C)C
InChI1S/C14H14N4/c1-9-10(2)17-13-12(9)14(16-8-15-13)18-11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyCGSZHEPJBCJZLG-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 | v-Abl | PKC alpha | ALL
Pub Chem Link 13492269
Drug Bank Link -
ChemSpider Link 10534079
ChEMBL Link CHEMBL75049
 
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