Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001373
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article8h compound
IUPAC Name1-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}pyrrolo[2,1-f][1,2,4]triazin-5-yl)methyl]piperidin-4-amine
FormulaC24H26ClN7O
Mass463.963
Exact Mass463.1887362
Composition C (62.13%), H (5.65%), Cl (7.64%), N (21.13%), O (3.45%)
Atom Count59
PI12.74
Smilesn1cnn2c(c1Nc1ccc(c(c1)Cl)OCc1ccccn1)c(cc2)CN1CC[C@H](CC1)N
InChI1S/C24H26ClN7O/c25-21-13-19(4-5-22(21)33-15-20-3-1-2-9-27-20)30-24-23-17(6-12-32(23)29-16-28-24)14-3
1-10-7-18(26)8-11-31/h1-6,9,12-13,16,18H,7-8,10-11,14-15,26H2,(H,28,29,30)
InChIKeyMUDNFYFQYCKQEI-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
Reference17606372
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 11178756
Drug Bank Link -
ChemSpider Link 9353847
ChEMBL Link CHEMBL248116
 
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