Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000847
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article10 compound
IUPAC Name6,7-dimethoxy-4-{[3-(trifluoromethyl)phenyl]amino}quinoline-3-carbonitrile
FormulaC19H14F3N3O2
Mass373.3286
Exact Mass373.1038113
Composition C (61.13%), H (3.78%), F (15.27%), N (11.26%), O (8.57%)
Atom Count41
PI10.76
Smilesc12c(cc(c(c1)OC)OC)ncc(c2Nc1cccc(c1)C(F)(F)F)C#N
InChI1S/C19H14F3N3O2/c1-26-16-7-14-15(8-17(16)27-2)24-10-11(9-23)18(14)25-13-5-3-4-12(6-13)19(20,21)22/h3
-8,10H,1-2H3,(H,24,25)
InChIKeyNPVUUFCFLLPVCM-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 5328842
Drug Bank Link -
ChemSpider Link 4486004
ChEMBL Link CHEMBL109503
 
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