Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004989
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article4
IUPAC NameN‐(2‐chlorophenyl)‐6,7‐dimethoxyquinazolin‐4‐amine
FormulaC16H14ClN3O2
Mass315.754
Exact Mass315.077454414
Composition C (60.86%), H (4.47%), Cl (11.23%), N (13.31%), O (10.13%)
Atom Count36
PI9.68
Smiles[H]N(C1=C2C([H])=C(OC([H])([H])[H])C(OC([H])([H])[H])=C([H])C2=NC([H])=N1)C1=C([H])C([H])=C([H])C([H])=C1Cl
InChI1S/C16H14ClN3O2/c1-21-14-7-10-13(8-15(14)22-2)18-9-19-16(10)20-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,18
,19,20)
InChIKeyXGDAPLSUTGJWAA-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 1474848
Drug Bank Link -
ChemSpider Link 1216674
ChEMBL Link -
 
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