Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001520
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article5d compound
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-[2-(thiophen-2-yl)ethynyl]quinazolin-4-amine
FormulaC20H11ClFN3S
Mass379.838
Exact Mass379.034624
Composition C (63.24%), H (2.92%), Cl (9.33%), F (5%), N (11.06%), S (8.44%)
Atom Count37
PI9.91
Smilesc12c(ccc(c1)C#Cc1cccs1)ncnc2Nc1ccc(c(c1)Cl)F
InChI1S/C20H11ClFN3S/c21-17-11-14(5-7-18(17)22)25-20-16-10-13(3-6-15-2-1-9-26-15)4-8-19(16)23-12-24-20/h1
-2,4-5,7-12H,(H,23,24,25)
InChIKeyZOLXBMQAPYBKAF-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 44442133
Drug Bank Link -
ChemSpider Link 23306710
ChEMBL Link CHEMBL398963
 
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