Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001759
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence ArticlePD-0180970
IUPAC Name6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
FormulaC21H15Cl2FN4O
Mass429.274
Exact Mass428.0606947
Composition C (58.76%), H (3.52%), Cl (16.52%), F (4.43%), N (13.05%), O (3.73%)
Atom Count44
PI7.49
Smilesc1c(c(=O)n(C)c2nc(Nc3cc(c(cc3)F)C)ncc12)c1c(cccc1Cl)Cl
InChI1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-1
6(18)23/h3-10H,1-2H3,(H,25,26,27)
InChIKeySLCFEJAMCRLYRG-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
Reference10974196
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 4470634
ChEMBL Link CHEMBL574058
 
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