Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002446
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article16 Compound
IUPAC Name(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-({[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]methyl}amino)but-2-enamide
FormulaC27H25ClF2N8O2
Mass566.99
Exact Mass566.1757062
Composition C (57.19%), H (4.44%), Cl (6.25%), F (6.7%), N (19.76%), O (5.64%)
Atom Count65
PI9.94
SmilesN(Cc1nnn(c1)CCF)C/C=C/C(=O)Nc1cc2c(c(cnc2cc1OCC)C#N)Nc1cc(c(cc1)F)Cl
InChI1S/C27H25ClF2N8O2/c1-2-40-25-12-23-20(27(17(13-31)14-33-23)34-18-5-6-22(30)21(28)10-18)11-24(25)35-2
6(39)4-3-8-32-15-19-16-38(9-7-29)37-36-19/h3-6,10-12,14,16,32H,2,7-9,15H2,1H3,(H,33,34)(H,35,39)/b4-
3+
InChIKeyPLNCBERXTZFKGL-ONEGZZNKSA-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
Reference20797871
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 46937464
Drug Bank Link -
ChemSpider Link 26353026
ChEMBL Link CHEMBL1243283
 
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