Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002010
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article12 compound
IUPAC Name(2S)-2-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)quinazolin-5-yl]oxy}-N,N-dimethylpropanamide
FormulaC27H25FN6O2
Mass484.5248
Exact Mass484.2023023
Composition C (66.93%), H (5.2%), F (3.92%), N (17.34%), O (6.6%)
Atom Count61
PI9.63
Smilesc12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1cccc(c1)F)O[C@H](C(=O)N(C)C)C
InChIInChI=1S/C27H25FN6O2/c1-17(27(35)33(2)3)36-24-9-5-8-22-25(24)26(30-16-29-22)32-21-10-11-23-19(13-21)
14-31-34(23)15-18-6-4-7-20(28)12-18/h4-14,16-17H,15H2,1-3H3,(H,29,30,32)/t17-/m0/s1
InChIKeyInChIKey=BBJFDODASSZYKE-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 16117483
Drug Bank Link -
ChemSpider Link 17274700
ChEMBL Link CHEMBL256784
 
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