Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000979
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article13 compound
IUPAC NameN-(3-chlorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC14H13ClN4
Mass272.733
Exact Mass272.0828741
Composition C (61.65%), H (4.8%), Cl (13%), N (20.54%)
Atom Count32
PI10.44
Smilesn1cnc2c(c1Nc1cc(ccc1)Cl)c(c([nH]2)C)C
InChI1S/C14H13ClN4/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)
InChIKeyWXJDWBDGDSXEFA-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 | 9357527 |
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesc-Src | PKC alpha | v-Abl | ALL
Pub Chem Link 9816954
Drug Bank Link -
ChemSpider Link 7992704
ChEMBL Link CHEMBL306081
 
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