Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001532
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article6f compound
IUPAC Name5-{3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl}pent-4-yn-1-ol
FormulaC21H21N3O3
Mass363.4097
Exact Mass363.1582916
Composition C (69.41%), H (5.82%), N (11.56%), O (13.21%)
Atom Count48
PI10.25
Smilesc12c(cc(c(c1)OC)OC)ncnc2Nc1cccc(c1)C#CCCCO
InChI1S/C21H21N3O3/c1-26-19-12-17-18(13-20(19)27-2)22-14-23-21(17)24-16-9-6-8-15(11-16)7-4-3-5-10-25/h6,8
-9,11-14,25H,3,5,10H2,1-2H3,(H,22,23,24)
InChIKeyIOCMISOXJROINT-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
Reference17889528
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 44442154
Drug Bank Link -
ChemSpider Link 23306734
ChEMBL Link CHEMBL437197
 
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