Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000920
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article31 compound
IUPAC Name(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N'-[3-(morpholin-4-yl)propyl]but-2-enediamide
FormulaC24H25ClFN7O3
Mass513.952
Exact Mass513.1691436
Composition C (56.09%), H (4.9%), Cl (6.9%), F (3.7%), N (19.08%), O (9.34%)
Atom Count61
PI9.57
Smilesn1cnc2c(c1Nc1ccc(c(c1)Cl)F)cc(nc2)NC(=O)/C=C/C(=O)NCCCN1CCOCC1
InChI1S/C24H25ClFN7O3/c25-18-12-16(2-3-19(18)26)31-24-17-13-21(28-14-20(17)29-15-30-24)32-23(35)5-4-22(34
)27-6-1-7-33-8-10-36-11-9-33/h2-5,12-15H,1,6-11H2,(H,27,34)(H,28,32,35)(H,29,30,31)/b5-4+
InChIKeyKNXXEFGLJICDBL-SNAWJCMRSA-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
Reference11462982
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 5329092
Drug Bank Link -
ChemSpider Link 4486254
ChEMBL Link CHEMBL138940
 
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