Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001397
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article14 compound
IUPAC Name2-{4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl}acetic acid
FormulaC24H22N6O2
Mass426.4705
Exact Mass426.180424
Composition C (67.59%), H (5.2%), N (19.71%), O (7.5%)
Atom Count54
PI3.34
Smilesn1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(c(c2)CC(=O)O)CC
InChI1S/C24H22N6O2/c1-2-20-18(11-22(31)32)14-30-23(20)24(25-15-27-30)28-19-8-9-21-17(10-19)12-26-29(21)13
-16-6-4-3-5-7-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,31,32)(H,25,27,28)
InChIKeyNFCDGHRKDYRHJM-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 23644675
Drug Bank Link -
ChemSpider Link 23261281
ChEMBL Link CHEMBL372692
 
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