Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000281
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence ArticleTYRPHOSTIN AG-1478
IUPAC NameN-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine
FormulaC16H14ClN3O2
Mass315.754
Exact Mass315.0774544
Composition C (60.86%), H (4.47%), Cl (11.23%), N (13.31%), O (10.13%)
Atom Count36
PI10.27
Smilesc1(cc(ccc1)Cl)Nc1c2c(ncn1)cc(c(c2)OC)OC
InChI1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18
,19,20)
InChIKeyGFNNBHLJANVSQV-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
Reference8879541 | 8568816 | 10090785 | 15454232 | 16279804 |
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesPKC alpha | v-Abl | c-Src | v-Abl | c-Src | PKC-R | p38a | HWB | ALL
Pub Chem Link 2051
Drug Bank Link -
ChemSpider Link 1968
ChEMBL Link CHEMBL7917
 
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