Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003100
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article15 compound
IUPAC NameN-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-[(1E)-{[3-(morpholin-4-yl)propoxy]imino}methyl]pyrimidin-4-amine
FormulaC26H29ClFN5O3
Mass513.992
Exact Mass513.1942957
Composition C (60.76%), H (5.69%), Cl (6.9%), F (3.7%), N (13.63%), O (9.34%)
Atom Count65
PI11.35
Smilesc1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)/C=N/OCCCN1CCOCC1
InChI1S/C26H29ClFN5O3/c1-19-23(16-31-36-11-3-8-33-9-12-34-13-10-33)26(30-18-29-19)32-22-6-7-25(24(27)15-2
2)35-17-20-4-2-5-21(28)14-20/h2,4-7,14-16,18H,3,8-13,17H2,1H3,(H,29,30,32)/b31-16+
InChIKeyPUPXFZQHXRUOTN-WCMJOSRZSA-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
Reference21334203
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 53322690
Drug Bank Link -
ChemSpider Link 26388463
ChEMBL Link CHEMBL1683959
 
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