Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004587
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article1c
IUPAC Name4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine
FormulaC14H10ClFN4
Mass288.707
Exact Mass288.0578023
Composition C (58.24%), H (3.49%), Cl (12.28%), F (6.58%), N (19.41%)
Atom Count30
PI10.57
Smilesc1c(ccc2c1c(ncn2)Nc1cc(c(cc1)F)Cl)N
InChI1S/C14H10ClFN4/c15-11-6-9(2-3-12(11)16)20-14-10-5-8(17)1-4-13(10)18-7-19-14/h1-7H,17H2,(H,18,19,20)
InChIKeyHJAGRTPTIMMQPY-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
Reference22309911
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 10880751
Drug Bank Link -
ChemSpider Link 9056020
ChEMBL Link CHEMBL242541
 
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