Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002012
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article14 compound
IUPAC Name(2R)-2-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)quinazolin-5-yl]oxy}-1-(morpholin-4-yl)propan-1-one
FormulaC29H27FN6O3
Mass526.5615
Exact Mass526.212867
Composition C (66.15%), H (5.17%), F (3.61%), N (15.96%), O (9.12%)
Atom Count66
PI9.63
Smilesc12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1cccc(c1)F)O[C@@H](C(=O)N1CCOCC1)C
InChIInChI=1S/C29H27FN6O3/c1-19(29(37)35-10-12-38-13-11-35)39-26-7-3-6-24-27(26)28(32-18-31-24)34-23-8-9-
25-21(15-23)16-33-36(25)17-20-4-2-5-22(30)14-20/h2-9,14-16,18-19H,10-13,17H2,1H3,(H,31,32,34)/t19-/m
1/s1
InChIKeyInChIKey=PJOBQWOUMSIZKE-LJQANCHMSA-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 16118179
Drug Bank Link -
ChemSpider Link 17275385
ChEMBL Link CHEMBL439425
 
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