Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001526
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article7a compound
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-[3-(morpholin-4-yl)prop-1-yn-1-yl]quinazolin-4-amine
FormulaC21H18ClFN4O
Mass396.845
Exact Mass396.1153171
Composition C (63.56%), H (4.57%), Cl (8.93%), F (4.79%), N (14.12%), O (4.03%)
Atom Count46
PI10.77
Smilesc12c(ccc(c1)C#CCN1CCOCC1)ncnc2Nc1ccc(c(c1)Cl)F
InChI1S/C21H18ClFN4O/c22-18-13-16(4-5-19(18)23)26-21-17-12-15(3-6-20(17)24-14-25-21)2-1-7-27-8-10-28-11-9
-27/h3-6,12-14H,7-11H2,(H,24,25,26)
InChIKeyUMHMHOVNVKCQES-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 44442147
Drug Bank Link -
ChemSpider Link 23306725
ChEMBL Link CHEMBL251498
 
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