Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004456
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article5m
IUPAC Name8-({4-[(4-chlorophenyl)methoxy]phenyl}amino)-1-[3-(morpholin-4-yl)propyl]-1H,2H-[1,3]oxazolo[4,5-g]quinazolin-2-one
FormulaC29H28ClN5O4
Mass546.017
Exact Mass545.1829821
Composition C (63.79%), H (5.17%), Cl (6.49%), N (12.83%), O (11.72%)
Atom Count67
PI11.5
SmilesC1OCCN(C1)CCCn1c(=O)oc2c1cc1c(c2)ncnc1Nc1ccc(cc1)OCc1ccc(cc1)Cl
InChI1S/C29H28ClN5O4/c30-21-4-2-20(3-5-21)18-38-23-8-6-22(7-9-23)33-28-24-16-26-27(17-25(24)31-19-32-28)3
9-29(36)35(26)11-1-10-34-12-14-37-15-13-34/h2-9,16-17,19H,1,10-15,18H2,(H,31,32,33)
InChIKeyJSGQKTYZIOFSIG-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
Reference22818848
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 28519321
ChEMBL Link -
 
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