Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003751
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article25 compound
IUPAC Name2-(cyclohexylamino)-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
FormulaC20H20Cl2N4O
Mass403.305
Exact Mass402.1014167
Composition C (59.56%), H (5%), Cl (17.58%), N (13.89%), O (3.97%)
Atom Count47
PI8.91
Smilesn1(c2nc(ncc2cc(c1=O)c1c(Cl)cccc1Cl)NC1CCCCC1)C
InChI1S/C20H20Cl2N4O/c1-26-18-12(11-23-20(25-18)24-13-6-3-2-4-7-13)10-14(19(26)27)17-15(21)8-5-9-16(17)22
/h5,8-11,13H,2-4,6-7H2,1H3,(H,23,24,25)
InChIKeySPPVVBKDFLCZFT-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 | c-Src | FGFr | ALL
Pub Chem Link 5327872
Drug Bank Link -
ChemSpider Link 4485042
ChEMBL Link CHEMBL113128
 
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