Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001381
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article5f compound
IUPAC Nameethyl 5-ethyl-4-[(4-phenoxyphenyl)amino]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
FormulaC23H22N4O3
Mass402.4458
Exact Mass402.1691906
Composition C (68.64%), H (5.51%), N (13.92%), O (11.93%)
Atom Count52
PI8.03
Smilesn1cnn2c(c1Nc1ccc(cc1)Oc1ccccc1)c(c(c2)C(=O)OCC)CC
InChI1S/C23H22N4O3/c1-3-19-20(23(28)29-4-2)14-27-21(19)22(24-15-25-27)26-16-10-12-18(13-11-16)30-17-8-6-5
-7-9-17/h5-15H,3-4H2,1-2H3,(H,24,25,26)
InChIKeySXUTWMUWKOLBDA-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
Reference16111887
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 23646539
Drug Bank Link -
ChemSpider Link 23261321
ChEMBL Link CHEMBL194349
 
TOP