Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003616
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article48 compound
IUPAC NameN-(3-chlorophenyl)-5,6,7-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC15H15ClN4
Mass286.759
Exact Mass286.0985242
Composition C (62.83%), H (5.27%), Cl (12.36%), N (19.54%)
Atom Count35
PI10.83
Smilesc12c(n(c(c1C)C)C)ncnc2Nc1cc(Cl)ccc1
InChI1S/C15H15ClN4/c1-9-10(2)20(3)15-13(9)14(17-8-18-15)19-12-6-4-5-11(16)7-12/h4-8H,1-3H3,(H,17,18,19)
InChIKeyPDAWAZKMZGJEIJ-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
Reference9357527
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23202538
ChEMBL Link CHEMBL120667
 
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