Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000027
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article17 compound
IUPAC Name1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)azetidine-3-carboxamide
FormulaC20H19ClFN5O2
Mass415.849
Exact Mass415.1211308
Composition C (57.76%), H (4.61%), Cl (8.53%), F (4.57%), N (16.84%), O (7.69%)
Atom Count48
PI10.1
Smilesc12cc(c(cc1ncnc2Nc1cccc(c1F)Cl)OC)CN1C[C@@H](C1)C(=O)N
InChI1S/C20H19ClFN5O2/c1-29-17-6-16-13(5-11(17)7-27-8-12(9-27)19(23)28)20(25-10-24-16)26-15-4-2-3-14(21)1
8(15)22/h2-6,10,12H,7-9H2,1H3,(H2,23,28)(H,24,25,26)
InChIKeyGVCKAAILNIXCRU-UHFFFAOYSA-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 -
Drug Bank Link -
ChemSpider Link 23269891
ChEMBL Link CHEMBL207037
 
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