Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002032
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article7j compound
IUPAC NameN-(4-methoxyphenyl)-3-(3-methoxypropyl)-2-(propan-2-yl)-3H-imidazo[4,5-g]quinazolin-8-amine
FormulaC23H27N5O2
Mass405.4928
Exact Mass405.2164751
Composition C (68.13%), H (6.71%), N (17.27%), O (7.89%)
Atom Count57
PI10.99
SmilesCOCCCn1c(nc2cc3c(Nc4ccc(OC)cc4)ncnc3cc12)C(C)C
InChI1S/C23H27N5O2/c1-15(2)23-27-20-12-18-19(13-21(20)28(23)10-5-11-29-3)24-14-25-22(18)26-16-6-8-17(30-4
)9-7-16/h6-9,12-15H,5,10-11H2,1-4H3,(H,24,25,26)
InChIKeyHRPLGWYBAIJFII-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
Reference18313807
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 25198678
Drug Bank Link -
ChemSpider Link 23336748
ChEMBL Link CHEMBL474968
 
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