Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001959
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article8n compound
IUPAC Name6,7-diethoxy-4-[2-(3-phenyl-1H-pyrrol-2-yl)ethynyl]quinazoline
FormulaC24H21N3O2
Mass383.4424
Exact Mass383.1633769
Composition C (75.18%), H (5.52%), N (10.96%), O (8.35%)
Atom Count50
PI8.55
Smilesc1(c(cc2c(c1)c(ncn2)C#Cc1[nH]ccc1c1ccccc1)OCC)OCC
InChI1S/C24H21N3O2/c1-3-28-23-14-19-21(26-16-27-22(19)15-24(23)29-4-2)11-10-20-18(12-13-25-20)17-8-6-5-7-
9-17/h5-9,12-16,25H,3-4H2,1-2H3
InChIKeyZHIZSMKXLCRVFN-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
Reference17869510
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 44442184
Drug Bank Link -
ChemSpider Link 23306772
ChEMBL Link CHEMBL251124
 
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