Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000842
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article5 compound
IUPAC Nameethyl 4-[(3-bromophenyl)amino]-6,7-dimethoxyquinoline-3-carboxylate
FormulaC20H19BrN2O4
Mass431.28
Exact Mass430.0528198
Composition C (55.7%), H (4.44%), Br (18.53%), N (6.5%), O (14.84%)
Atom Count46
PI11.54
Smilesc12c(cc(c(c1)OC)OC)ncc(c2Nc1cccc(c1)Br)C(=O)OCC
InChI1S/C20H19BrN2O4/c1-4-27-20(24)15-11-22-16-10-18(26-3)17(25-2)9-14(16)19(15)23-13-7-5-6-12(21)8-13/h5
-11H,4H2,1-3H3,(H,22,23)
InChIKeyJTCMPRGLTUXNFT-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
Reference10966743
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 5328837
Drug Bank Link -
ChemSpider Link 4485999
ChEMBL Link CHEMBL443277
 
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