Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000020
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article10 compound
IUPAC Name(2R)-1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)-N-methylpyrrolidine-2-carboxamide
FormulaC22H23ClFN5O2
Mass443.902
Exact Mass443.1524309
Composition C (59.53%), H (5.22%), Cl (7.99%), F (4.28%), N (15.78%), O (7.21%)
Atom Count54
PI10.06
Smilesc12cc(c(cc1ncnc2Nc1cccc(c1F)Cl)OC)CN1[C@H](CCC1)C(=O)NC
InChI1S/C22H23ClFN5O2/c1-25-22(30)18-7-4-8-29(18)11-13-9-14-17(10-19(13)31-2)26-12-27-21(14)28-16-6-3-5-1
5(23)20(16)24/h3,5-6,9-10,12,18H,4,7-8,11H2,1-2H3,(H,25,30)(H,26,27,28)/t18-/m1/s1
InChIKeyQMGNNNRCEMYKNG-GOSISDBHSA-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
Reference16516473
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 11502867
Drug Bank Link -
ChemSpider Link 23270058
ChEMBL Link CHEMBL208292
 
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