Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000986
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article20 compound
IUPAC Name3-({5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)benzonitrile
FormulaC15H13N5
Mass263.2972
Exact Mass263.1170954
Composition C (68.42%), H (4.98%), N (26.6%)
Atom Count33
PI10.43
Smilesn1cnc2c(c1Nc1cc(ccc1)C#N)c(c([nH]2)C)C
InChI1S/C15H13N5/c1-9-10(2)19-14-13(9)15(18-8-17-14)20-12-5-3-4-11(6-12)7-16/h3-6,8H,1-2H3,(H2,17,18,19,2
0)
InChIKeyMPFUPSNMAKEAKB-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 10635276
Drug Bank Link -
ChemSpider Link 8810638
ChEMBL Link CHEMBL75208
 
TOP