Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004110
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article19 compound
IUPAC Name8-acetyl-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile
FormulaC22H16ClFN6O
Mass434.853
Exact Mass434.1058151
Composition C (60.76%), H (3.71%), Cl (8.15%), F (4.37%), N (19.33%), O (3.68%)
Atom Count47
PI9.57
Smilesc1(cc(c2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)F)Cl)C(=O)C)NCc1c[nH]cn1
InChI1S/C22H16ClFN6O/c1-12(31)17-4-15(27-10-16-9-26-11-29-16)5-18-21(13(7-25)8-28-22(17)18)30-14-2-3-20(2
4)19(23)6-14/h2-6,8-9,11,27H,10H2,1H3,(H,26,29)(H,28,30)
InChIKeyFYBDFTOKGKWXLM-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
Reference17715908
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesTpl10 |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23288998
ChEMBL Link CHEMBL397949
 
TOP