Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001735
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article15 Compound
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-methoxy-6-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine
FormulaC21H22ClFN4O2
Mass416.876
Exact Mass416.1415319
Composition C (60.5%), H (5.32%), Cl (8.5%), F (4.56%), N (13.44%), O (7.68%)
Atom Count51
PI12.23
Smilesc12c(cc(c(c1)OC1CCN(CC1)C)OC)ncnc2Nc1ccc(c(c1)Cl)F
InChI1S/C21H22ClFN4O2/c1-27-7-5-14(6-8-27)29-20-10-15-18(11-19(20)28-2)24-12-25-21(15)26-13-3-4-17(23)16(
22)9-13/h3-4,9-12,14H,5-8H2,1-2H3,(H,24,25,26)
InChIKeyAHPPMJNZFROCCT-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
Reference16806916
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 10173248
Drug Bank Link -
ChemSpider Link 8348753
ChEMBL Link CHEMBL276154
 
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