Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004594
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article19r
IUPAC NameN-[(2-{4-amino-6-[(3,4-dichloro-2-fluorophenyl)amino]pyrimidin-5-yl}-1,3-oxazol-4-yl)methyl]prop-2-enamide
FormulaC17H13Cl2FN6O2
Mass423.229
Exact Mass422.0461073
Composition C (48.24%), H (3.1%), Cl (16.75%), F (4.49%), N (19.86%), O (7.56%)
Atom Count41
PI8.35
Smilesc1(c(c(ncn1)N)c1occ(n1)CNC(=O)C=C)Nc1ccc(c(c1F)Cl)Cl
InChI1S/C17H13Cl2FN6O2/c1-2-11(27)22-5-8-6-28-17(25-8)12-15(21)23-7-24-16(12)26-10-4-3-9(18)13(19)14(10)2
0/h2-4,6-7H,1,5H2,(H,22,27)(H3,21,23,24,26)
InChIKeyIRJLSKTZPNWHCW-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
Reference22372864
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 53357893
Drug Bank Link -
ChemSpider Link 28520986
ChEMBL Link -
 
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