Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001522
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article5f compound
IUPAC Name4-{4-[(3-chloro-4-fluorophenyl)amino]quinazolin-6-yl}but-3-yn-1-ol
FormulaC18H13ClFN3O
Mass341.767
Exact Mass341.073118
Composition C (63.26%), H (3.83%), Cl (10.37%), F (5.56%), N (12.29%), O (4.68%)
Atom Count37
PI9.66
Smilesc12c(ccc(c1)C#CCCO)ncnc2Nc1ccc(c(c1)Cl)F
InChI1S/C18H13ClFN3O/c19-15-10-13(5-6-16(15)20)23-18-14-9-12(3-1-2-8-24)4-7-17(14)21-11-22-18/h4-7,9-11,2
4H,2,8H2,(H,21,22,23)
InChIKeyWZAHNIGELIOSPL-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
Reference17889528
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 44442137
Drug Bank Link -
ChemSpider Link 23306715
ChEMBL Link CHEMBL249921
 
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