Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003179
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article1 compound
IUPAC Name4-[4-(4-fluorophenyl)-2-{4-[(S)-methanesulfinyl]phenyl}-1H-imidazol-5-yl]pyridine
FormulaC21H16FN3OS
Mass377.435
Exact Mass377.099811
Composition C (66.83%), H (4.27%), F (5.03%), N (11.13%), O (4.24%), S (8.5%)
Atom Count43
PI8.55
Smilesn1c(c([nH]c1c1ccc(cc1)[S@@](=O)C)c1ccncc1)c1ccc(cc1)F
InChI1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/
h2-13H,1H3,(H,24,25)/t27-/m0/s1
InChIKeyCDMGBJANTYXAIV-MHZLTWQESA-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
Reference15454232
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesp38 alpha |
Pub Chem Link 9543416
Drug Bank Link -
ChemSpider Link 153453
ChEMBL Link CHEMBL10
 
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