Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001999
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article1 compound
IUPAC Name(2R)-N,N-dimethyl-2-{[4-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)quinazolin-5-yl]oxy}propanamide
FormulaC26H27N5O3
Mass457.5243
Exact Mass457.2113898
Composition C (68.25%), H (5.95%), N (15.31%), O (10.49%)
Atom Count61
PI10.44
Smilesc12c(cccc1ncnc2Nc1cc(c(cc1)Oc1cnc(cc1)C)C)O[C@H](C)C(=O)N(C)C
InChIInChI=1S/C26H27N5O3/c1-16-13-19(10-12-22(16)34-20-11-9-17(2)27-14-20)30-25-24-21(28-15-29-25)7-6-8-2
3(24)33-18(3)26(32)31(4)5/h6-15,18H,1-5H3,(H,28,29,30)/t18-/m1/s1
InChIKeyInChIKey=XNXUDGXKTVZKLB-GOSISDBHSA-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
Reference18313293
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 11712237
Drug Bank Link -
ChemSpider Link 9886959
ChEMBL Link CHEMBL256362
 
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