Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000311
Inhibitor ClassAnilino-pyrido-pyrimidine
Molecule Name in Refrence Article37 compound
IUPAC NameN-{4-[(3-bromo-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-5-(morpholin-4-yl)pent-2-ynamide
FormulaC22H20BrFN6O2
Mass499.336
Exact Mass498.0815148
Composition C (52.92%), H (4.04%), Br (16%), F (3.8%), N (16.83%), O (6.41%)
Atom Count52
PI8.69
SmilesN1(CCOCC1)CCC#CC(=O)Nc1cc2c(cn1)ncnc2Nc1ccc(c(c1)Br)F
InChI1S/C22H20BrFN6O2/c23-17-11-15(4-5-18(17)24)28-22-16-12-20(25-13-19(16)26-14-27-22)29-21(31)3-1-2-6-3
0-7-9-32-10-8-30/h4-5,11-14H,2,6-10H2,(H,25,29,31)(H,26,27,28)
InChIKeyDPNQFVJNRXPIOB-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
Reference16480284
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 11713043
Drug Bank Link -
ChemSpider Link 9887764
ChEMBL Link CHEMBL204638
 
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