Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001756
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence ArticlePD-0173956
IUPAC Name6-(2,6-dichlorophenyl)-2-[(4-fluorophenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
FormulaC20H13Cl2FN4O
Mass415.248
Exact Mass414.0450447
Composition C (57.85%), H (3.16%), Cl (17.08%), F (4.58%), N (13.49%), O (3.85%)
Atom Count41
PI7.44
Smilesc1(ccc(cc1)Nc1nc2c(cn1)cc(c(=O)n2C)c1c(cccc1Cl)Cl)F
InChI1S/C20H13Cl2FN4O/c1-27-18-11(9-14(19(27)28)17-15(21)3-2-4-16(17)22)10-24-20(26-18)25-13-7-5-12(23)6-
8-13/h2-10H,1H3,(H,24,25,26)
InChIKeyZSHRAUSJZQDIJR-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 4487675
ChEMBL Link CHEMBL574059
 
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