Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003776
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article50 compound
IUPAC Name6-(2,6-dichlorophenyl)-2-[(3-hydroxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
FormulaC20H14Cl2N4O2
Mass413.257
Exact Mass412.0493811
Composition C (58.13%), H (3.41%), Cl (17.16%), N (13.56%), O (7.74%)
Atom Count42
PI5.56
Smilesc1c(cc(cc1)Nc1nc2c(cn1)cc(c(=O)n2C)c1c(cccc1Cl)Cl)O
InChI1S/C20H14Cl2N4O2/c1-26-18-11(8-14(19(26)28)17-15(21)6-3-7-16(17)22)10-23-20(25-18)24-12-4-2-5-13(27)
9-12/h2-10,27H,1H3,(H,23,24,25)
InChIKeyYLOVBNCIDYKIDW-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 enzymesFGFr | c-Src | PDGFr | ALL
Pub Chem Link 5327897
Drug Bank Link -
ChemSpider Link 4485067
ChEMBL Link CHEMBL321193
 
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