Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003574
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article4b compound
IUPAC Name1-[2-amino-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
FormulaC18H18Cl2N6O
Mass405.281
Exact Mass404.0919146
Composition C (53.34%), H (4.48%), Cl (17.5%), N (20.74%), O (3.95%)
Atom Count45
PI7.96
Smilesc1(c(c2c(Cl)cccc2Cl)cc2c(n1)nc(nc2)N)NC(=O)NC(C)(C)C
InChI1S/C18H18Cl2N6O/c1-18(2,3)26-17(27)25-15-10(13-11(19)5-4-6-12(13)20)7-9-8-22-16(21)24-14(9)23-15/h4-
8H,1-3H3,(H4,21,22,23,24,25,26,27)
InChIKeyRRWSNCZYJCOEFX-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
Reference9240345
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesInsRT | PDGFr | FGFr | c-Src | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4485279
ChEMBL Link CHEMBL57366
 
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