Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000586
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article15 compound
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-methoxy-5-(propan-2-yloxy)quinazolin-4-amine
FormulaC18H17ClFN3O2
Mass361.798
Exact Mass361.0993327
Composition C (59.76%), H (4.74%), Cl (9.8%), F (5.25%), N (11.61%), O (8.84%)
Atom Count42
PI10.05
Smilesc12c(cc(cc1OC(C)C)OC)ncnc2Nc1ccc(c(c1)Cl)F
InChI1S/C18H17ClFN3O2/c1-10(2)25-16-8-12(24-3)7-15-17(16)18(22-9-21-15)23-11-4-5-14(20)13(19)6-11/h4-10H,
1-3H3,(H,21,22,23)
InChIKeyHCOMHAHJQWPWMM-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 23268236
ChEMBL Link CHEMBL377277
 
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