Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004290
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8 compound
IUPAC Name7-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyheptanamide
FormulaC24H26N4O4
Mass434.4876
Exact Mass434.1954053
Composition C (66.34%), H (6.03%), N (12.89%), O (14.73%)
Atom Count58
PI6.74
Smilesn1cnc(c2c1cc(c(c2)OCCCCCCC(=O)NO)OC)Nc1cc(ccc1)C#C
InChI1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-2
3(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
InChIKeyPLIVFNIUGLLCEK-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
Reference20143778 | 20166671 |
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesHDAC | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24650802
ChEMBL Link CHEMBL598797
 
TOP