Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004988
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article3
IUPAC Name6,7‐dimethoxy‐N‐(thiophen‐2‐ylmethyl)quinazolin‐4‐amine
FormulaC15H15N3O2S
Mass301.364
Exact Mass301.088497429
Composition C (59.78%), H (5.02%), N (13.94%), O (10.62%), S (10.64%)
Atom Count36
PI11.98
Smiles[H]N(C1=C2C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C([H])C2=NC([H])=N1)C([H])([H])C1=C([H])C([H])=C([H])S1
InChI1S/C15H15N3O2S/c1-19-13-6-11-12(7-14(13)20-2)17-9-18-15(11)16-8-10-4-3-5-21-10/h3-7,9H,8H2,1-2H3,(H,
16,17,18)
InChIKeySZXQNJNKRNPSJD-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
Reference22607878
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 1490263
Drug Bank Link -
ChemSpider Link 1230588
ChEMBL Link CHEMBL1607403
 
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