Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002509
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article6b compound
IUPAC Name(2E)-3-{5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]thiophen-2-yl}-N-hydroxyprop-2-enamide
FormulaC28H20ClFN4O3S
Mass547
Exact Mass546.0928671
Composition C (61.48%), H (3.69%), Cl (6.48%), F (3.47%), N (10.24%), O (8.77%), S (5.86%)
Atom Count58
PI6.69
Smilesc1(ccc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1ccc(s1)/C=C/C(=O)NO
InChI1S/C28H20ClFN4O3S/c29-23-14-20(5-9-25(23)37-15-17-2-1-3-19(30)12-17)33-28-22-13-18(4-8-24(22)31-16-3
2-28)26-10-6-21(38-26)7-11-27(35)34-36/h1-14,16,36H,15H2,(H,34,35)(H,31,32,33)/b11-7+
InChIKeySUBNLERWESOYMX-YRNVUSSQSA-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 | PKA | CDK2 | ALL
Pub Chem Link 49855569
Drug Bank Link -
ChemSpider Link 26377325
ChEMBL Link CHEMBL1630108
 
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