Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001530
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article6d compound
IUPAC Name3-{3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl}prop-2-yn-1-ol
FormulaC19H17N3O3
Mass335.3566
Exact Mass335.1269914
Composition C (68.05%), H (5.11%), N (12.53%), O (14.31%)
Atom Count42
PI9.35
Smilesc12c(cc(c(c1)OC)OC)ncnc2Nc1cccc(c1)C#CCO
InChI1S/C19H17N3O3/c1-24-17-10-15-16(11-18(17)25-2)20-12-21-19(15)22-14-7-3-5-13(9-14)6-4-8-23/h3,5,7,9-1
2,23H,8H2,1-2H3,(H,20,21,22)
InChIKeyWIBRRSMFZMVFSE-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 15520888
Drug Bank Link -
ChemSpider Link 13078128
ChEMBL Link CHEMBL399736
 
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