Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002518
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8a compound
IUPAC Name5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]-N-hydroxyfuran-2-carboxamide
FormulaC26H18ClFN4O4
Mass504.897
Exact Mass504.100061
Composition C (61.85%), H (3.59%), Cl (7.02%), F (3.76%), N (11.1%), O (12.68%)
Atom Count54
PI6.27
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1ccc(o1)C(=O)NO
InChI1S/C26H18ClFN4O4/c27-20-12-18(5-7-23(20)35-13-15-2-1-3-17(28)10-15)31-25-19-11-16(4-6-21(19)29-14-30
-25)22-8-9-24(36-22)26(33)32-34/h1-12,14,34H,13H2,(H,32,33)(H,29,30,31)
InChIKeyZMYUKKKHJVNBAM-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
Reference21080629
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesPDGFR beta | InsR | Abl1 | PlK1 | CDK2 | PKA | ALL
Pub Chem Link 49855952
Drug Bank Link -
ChemSpider Link 26376972
ChEMBL Link CHEMBL1630117
 
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