Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003579
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article6a compound
IUPAC Name3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea
FormulaC25H33Cl2N7O
Mass518.482
Exact Mass517.2123641
Composition C (57.91%), H (6.42%), Cl (13.68%), N (18.91%), O (3.09%)
Atom Count68
PI10.7
Smilesc1(c(c2c(Cl)cccc2Cl)cc2c(n1)nc(nc2)NCCCN(CC)CC)NC(=O)NC(C)(C)C
InChI1S/C25H33Cl2N7O/c1-6-34(7-2)13-9-12-28-23-29-15-16-14-17(20-18(26)10-8-11-19(20)27)22(30-21(16)31-23
)32-24(35)33-25(3,4)5/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3,(H3,28,29,30,31,32,33,35)
InChIKeyULIJLYCJYRQKBG-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 | c-Src | FGFr | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4485282
ChEMBL Link CHEMBL299026
 
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