Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001194
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article22 compound
IUPAC NameN-{4-[(3-chloro-4-fluorophenyl)methyl]-7-[4-(morpholin-4-yl)butyl]pyrido[3,2-d]pyrimidin-6-yl}prop-2-enamide
FormulaC25H27ClFN5O2
Mass483.966
Exact Mass483.183731
Composition C (62.04%), H (5.62%), Cl (7.33%), F (3.93%), N (14.47%), O (6.61%)
Atom Count61
PI9.84
Smilesc12nc(c(cc1ncnc2Cc1cc(c(cc1)F)Cl)CCCCN1CCOCC1)NC(=O)C=C
InChI1S/C25H27ClFN5O2/c1-2-23(33)30-25-18(5-3-4-8-32-9-11-34-12-10-32)15-22-24(31-25)21(28-16-29-22)14-17
-6-7-20(27)19(26)13-17/h2,6-7,13,15-16H,1,3-5,8-12,14H2,(H,30,31,33)
InChIKeyYBTFLZMYDPWTKC-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
Reference10956451
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 44564528
Drug Bank Link -
ChemSpider Link 23335381
ChEMBL Link CHEMBL521601
 
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