Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005037
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article7
IUPAC NameN‐[3‐({7H,8H‐[1,4]dioxino[2,3‐g]quinazolin‐4‐yl}amino)phenyl]methanesulfonamide
FormulaC21H15N3O2
Mass341.3627
Exact Mass341.116426739
Composition C (73.89%), H (4.43%), N (12.31%), O (9.37%)
Atom Count41
PI10.27
Smiles[H]N(C1=NC([H])=NC2=C([H])C3=C(OC([H])([H])O3)C([H])=C12)C1=C([H])C(=C([H])C([H])=C1[H])C1=C([H])C([H])=C([H])C([H])=C1[H]
InChI1S/C21H15N3O2/c1-2-5-14(6-3-1)15-7-4-8-16(9-15)24-21-17-10-19-20(26-13-25-19)11-18(17)22-12-23-21/h1
-12H,13H2,(H,22,23,24)
InChIKey WYQRWWCPRIGMCS-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
Reference23900004
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesFGFR-1 | VEGFR-2 | PDGFRβ | Src | Abl | ALL
Pub Chem Link 60202383
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
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