Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004107
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article15 compound
IUPAC Name4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]-8-methoxyquinoline-3-carbonitrile
FormulaC21H16ClFN6O
Mass422.843
Exact Mass422.1058151
Composition C (59.65%), H (3.81%), Cl (8.38%), F (4.49%), N (19.88%), O (3.78%)
Atom Count46
PI9.57
Smilesc1(cc(c2c(c1)c(c(cn2)C#N)Nc1cc(c(cc1)F)Cl)OC)NCc1c[nH]cn1
InChI1S/C21H16ClFN6O/c1-30-19-6-14(26-10-15-9-25-11-28-15)4-16-20(12(7-24)8-27-21(16)19)29-13-2-3-18(23)1
7(22)5-13/h2-6,8-9,11,26H,10H2,1H3,(H,25,28)(H,27,29)
InChIKeyKPQYADFSXWRWHU-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 enzymesTpl7 |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23288993
ChEMBL Link CHEMBL241990
 
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