Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004568
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article2c
IUPAC Name4-[(3-chloro-4-fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carboxylic acid
FormulaC18H14ClFN2O4
Mass376.766
Exact Mass376.0626129
Composition C (57.38%), H (3.75%), Cl (9.41%), F (5.04%), N (7.44%), O (16.99%)
Atom Count40
PI5.06
Smilesc1c(c(cc2c1c(c(cn2)C(=O)O)Nc1cc(c(cc1)F)Cl)OC)OC
InChI1S/C18H14ClFN2O4/c1-25-15-6-10-14(7-16(15)26-2)21-8-11(18(23)24)17(10)22-9-3-4-13(20)12(19)5-9/h3-8H
,1-2H3,(H,21,22)(H,23,24)
InChIKeyAAVGHUCVRHUVEM-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
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 57400361
Drug Bank Link -
ChemSpider Link 28431371
ChEMBL Link CHEMBL1947123
 
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