Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003042
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article43 compound
IUPAC Name(2S)-N-{4-[(5-chloro-2H-1,3-benzodioxol-4-yl)amino]-7-(2-methoxyethoxy)quinazolin-6-yl}pyrrolidine-2-carboxamide
FormulaC23H24ClN5O5
Mass485.92
Exact Mass485.1465966
Composition C (56.85%), H (4.98%), Cl (7.3%), N (14.41%), O (16.46%)
Atom Count58
PI10.5
SmilesN1[C@@H](CCC1)C(=O)Nc1cc2c(ncnc2cc1OCCOC)Nc1c2OCOc2ccc1Cl
InChI1S/C23H24ClN5O5/c1-31-7-8-32-19-10-16-13(9-17(19)28-23(30)15-3-2-6-25-15)22(27-11-26-16)29-20-14(24)
4-5-18-21(20)34-12-33-18/h4-5,9-11,15,25H,2-3,6-8,12H2,1H3,(H,28,30)(H,26,27,29)/t15-/m0/s1
InChIKeyPXVOZEZXKFLOOY-HNNXBMFYSA-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
Reference19321350
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 42630202
Drug Bank Link -
ChemSpider Link 24720154
ChEMBL Link CHEMBL523122
 
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