Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004570
Inhibitor ClassPurine
Molecule Name in Refrence Article2b
IUPAC NameN-(3-{[5-(quinolin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy}phenyl)prop-2-enamide
FormulaC24H17N5O2
Mass407.4241
Exact Mass407.1382248
Composition C (70.75%), H (4.21%), N (17.19%), O (7.85%)
Atom Count48
PI8.21
Smilesc1(cccc(c1)Oc1ncnc2c1c(c[nH]2)c1cc2c(nc1)cccc2)NC(=O)C=C
InChI1S/C24H17N5O2/c1-2-21(30)29-17-7-5-8-18(11-17)31-24-22-19(13-26-23(22)27-14-28-24)16-10-15-6-3-4-9-2
0(15)25-12-16/h2-14H,1H2,(H,29,30)(H,26,27,28)
InChIKeyDUIUREGYTDJMJK-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
Reference21208802
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 42601359
Drug Bank Link -
ChemSpider Link 26381108
ChEMBL Link CHEMBL1643965
 
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