Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001731
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article11 Compound
IUPAC NameN-(5-chloro-2-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine
FormulaC22H24ClFN4O3
Mass446.902
Exact Mass446.1520966
Composition C (59.13%), H (5.41%), Cl (7.93%), F (4.25%), N (12.54%), O (10.74%)
Atom Count55
PI10.14
Smilesc12c(cc(c(c1)OCCCN1CCOCC1)OC)ncnc2Nc1c(ccc(c1)Cl)F
InChI1S/C22H24ClFN4O3/c1-29-20-13-18-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-18)27-19-11-15(23
)3-4-17(19)24/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
InChIKeyDUCBKFANLUPMGX-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 44416407
Drug Bank Link -
ChemSpider Link 23275806
ChEMBL Link CHEMBL384699
 
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