Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001967
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8b compound
IUPAC NameN-[(2R)-1-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-5-yl)oxy]propan-2-yl]-2-hydroxy-N-methylacetamide
FormulaC26H26ClN5O4
Mass507.969
Exact Mass507.1673321
Composition C (61.48%), H (5.16%), Cl (6.98%), N (13.79%), O (12.6%)
Atom Count62
PI9.12
Smilesc1ccc2c(c1OC[C@H](N(C)C(=O)CO)C)c(ncn2)Nc1cc(c(cc1)OCc1ncccc1)Cl
InChI1S/C26H26ClN5O4/c1-17(32(2)24(34)13-33)14-35-23-8-5-7-21-25(23)26(30-16-29-21)31-18-9-10-22(20(27)12
-18)36-15-19-6-3-4-11-28-19/h3-12,16-17,33H,13-15H2,1-2H3,(H,29,30,31)/t17-/m1/s1
InChIKeyHXMKNGQXLJHQDQ-QGZVFWFLSA-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
Reference17869514
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 44442025
Drug Bank Link -
ChemSpider Link 23306568
ChEMBL Link CHEMBL250130
 
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