Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004567
Inhibitor ClassPurine
Molecule Name in Refrence Article2c
IUPAC NameN-(3-{[5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy}phenyl)prop-2-enamide
FormulaC22H18N4O3
Mass386.4033
Exact Mass386.1378905
Composition C (68.38%), H (4.7%), N (14.5%), O (12.42%)
Atom Count47
PI8.18
Smilesc1(cccc(c1)Oc1ncnc2c1c(c[nH]2)c1ccc(cc1)OC)NC(=O)C=C
InChI1S/C22H18N4O3/c1-3-19(27)26-15-5-4-6-17(11-15)29-22-20-18(12-23-21(20)24-13-25-22)14-7-9-16(28-2)10-
8-14/h3-13H,1H2,2H3,(H,26,27)(H,23,24,25)
InChIKeyQHHNSNKJCRLMJK-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 49820733
Drug Bank Link -
ChemSpider Link 26377101
ChEMBL Link CHEMBL1643966
 
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