Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000883
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article2b
IUPAC Name4-[(3-bromophenyl)amino]-6,7-dimethoxyquinoline-3-carboxylic acid
FormulaC18H15BrN2O4
Mass403.227
Exact Mass402.0215196
Composition C (53.62%), H (3.75%), Br (19.82%), N (6.95%), O (15.87%)
Atom Count40
PI5.05
Smilesc12c(cc(c(c1)OC)OC)ncc(c2Nc1cccc(c1)Br)C(=O)O
InChI1S/C18H15BrN2O4/c1-24-15-7-12-14(8-16(15)25-2)20-9-13(18(22)23)17(12)21-11-5-3-4-10(19)6-11/h3-9H,1-
2H3,(H,20,21)(H,22,23)
InChIKeyCISJBDCCOIMBGW-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
Reference22309911 | 10966743 |
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 5328878
Drug Bank Link -
ChemSpider Link 4486040
ChEMBL Link CHEMBL541988
 
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