Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003767
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article41 compound
IUPAC Name6-(2,6-dichlorophenyl)-2-[(6-methoxypyridin-3-yl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
FormulaC20H15Cl2N5O2
Mass428.271
Exact Mass427.0602802
Composition C (56.09%), H (3.53%), Cl (16.56%), N (16.35%), O (7.47%)
Atom Count44
PI7.55
Smilesn1(c2nc(ncc2cc(c1=O)c1c(Cl)cccc1Cl)Nc1cnc(cc1)OC)C
InChI1S/C20H15Cl2N5O2/c1-27-18-11(8-13(19(27)28)17-14(21)4-3-5-15(17)22)9-24-20(26-18)25-12-6-7-16(29-2)2
3-10-12/h3-10H,1-2H3,(H,24,25,26)
InChIKeyNBPINIBREWXSRV-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
Reference9703473
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesPDGFr | FGFr | c-Src | ALL
Pub Chem Link 5327888
Drug Bank Link -
ChemSpider Link 4485058
ChEMBL Link CHEMBL111365
 
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