Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002024
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article7b compound
IUPAC Name3-(3-ethoxypropyl)-N-(4-methoxyphenyl)-2-(2-methylpropyl)-3H-imidazo[4,5-g]quinazolin-8-amine
FormulaC25H31N5O2
Mass433.5459
Exact Mass433.2477753
Composition C (69.26%), H (7.21%), N (16.15%), O (7.38%)
Atom Count63
PI11.02
Smilesc1(nc2cc3c(Nc4ccc(cc4)OC)ncnc3cc2n1CCCOCC)CC(C)C
InChI1S/C25H31N5O2/c1-5-32-12-6-11-30-23-15-21-20(14-22(23)29-24(30)13-17(2)3)25(27-16-26-21)28-18-7-9-19
(31-4)10-8-18/h7-10,14-17H,5-6,11-13H2,1-4H3,(H,26,27,28)
InChIKeyDRSULOFXZSAQOG-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 25028883
Drug Bank Link -
ChemSpider Link 23336650
ChEMBL Link CHEMBL473590
 
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