Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002021
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article23 compound
IUPAC Name(2S)-1-(morpholin-4-yl)-2-[(4-{[1-(1,3-thiazol-2-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]propan-1-one
FormulaC26H25N7O3S
Mass515.587
Exact Mass515.1739584
Composition C (60.57%), H (4.89%), N (19.02%), O (9.31%), S (6.22%)
Atom Count62
PI9.64
Smilesc12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1sccn1)O[C@H](C(=O)N1CCOCC1)C
InChIInChI=1S/C26H25N7O3S/c1-17(26(34)32-8-10-35-11-9-32)36-22-4-2-3-20-24(22)25(29-16-28-20)31-19-5-6-21
-18(13-19)14-30-33(21)15-23-27-7-12-37-23/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,29,31)/t17-/m0/s1
InChIKeyInChIKey=RZPOCZHUFDCVQZ-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 16118312
Drug Bank Link -
ChemSpider Link 17275518
ChEMBL Link -
 
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