Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002011
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article13 compound
IUPAC Name(2R)-2-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)quinazolin-5-yl]oxy}-N-methylpropanamide
FormulaC26H23FN6O2
Mass470.4982
Exact Mass470.1866522
Composition C (66.37%), H (4.93%), F (4.04%), N (17.86%), O (6.8%)
Atom Count58
PI9.47
Smilesc12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1cccc(c1)F)O[C@@H](C(=O)NC)C
InChIInChI=1S/C26H23FN6O2/c1-16(26(34)28-2)35-23-8-4-7-21-24(23)25(30-15-29-21)32-20-9-10-22-18(12-20)13-
31-33(22)14-17-5-3-6-19(27)11-17/h3-13,15-16H,14H2,1-2H3,(H,28,34)(H,29,30,32)/t16-/m1/s1
InChIKeyInChIKey=WXVGRYVQNLPYBE-MRXNPFEDSA-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 16118035
Drug Bank Link -
ChemSpider Link 17275242
ChEMBL Link CHEMBL256994
 
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