Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002001
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3 compound
IUPAC Name(2S)-N,N-dimethyl-2-[(4-{[1-(pyridin-2-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]propanamide
FormulaC26H25N7O2
Mass467.5224
Exact Mass467.2069731
Composition C (66.79%), H (5.39%), N (20.97%), O (6.84%)
Atom Count60
PI9.88
Smilesc12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1ccccn1)O[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C26H25N7O2/c1-17(26(34)32(2)3)35-23-9-6-8-21-24(23)25(29-16-28-21)31-19-10-11-22-18(13-19)1
4-30-33(22)15-20-7-4-5-12-27-20/h4-14,16-17H,15H2,1-3H3,(H,28,29,31)/t17-/m0/s1
InChIKeyInChIKey=XGGPNQWFYUZWNO-KRWDZBQOSA-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 16116962
Drug Bank Link -
ChemSpider Link 17274181
ChEMBL Link CHEMBL402657
 
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