Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000595
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article24 compound
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
FormulaC27H33ClFN5O3
Mass530.034
Exact Mass529.2255959
Composition C (61.18%), H (6.28%), Cl (6.69%), F (3.58%), N (13.21%), O (9.06%)
Atom Count70
PI11.77
Smilesc12c(cc(cc1OC1CCOCC1)OCCCN1CCN(CC1)C)ncnc2Nc1ccc(c(c1)Cl)F
InChI1S/C27H33ClFN5O3/c1-33-8-10-34(11-9-33)7-2-12-36-21-16-24-26(25(17-21)37-20-5-13-35-14-6-20)27(31-18
-30-24)32-19-3-4-23(29)22(28)15-19/h3-4,15-18,20H,2,5-14H2,1H3,(H,30,31,32)
InChIKeyUYNGIWGAHXGANL-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
Reference16380259
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 -
Drug Bank Link -
ChemSpider Link 23267967
ChEMBL Link CHEMBL205776
 
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