Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004081
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article1s compound
IUPAC Name1-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}-1,4-diazepan-5-one
FormulaC26H25FN8O
Mass484.5281
Exact Mass484.2135357
Composition C (64.45%), H (5.2%), F (3.92%), N (23.13%), O (3.3%)
Atom Count61
PI10.7
Smilesc1(c2n(ncn1)ccc2CN1CCC(=O)NCC1)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F
InChI1S/C26H25FN8O/c27-21-3-1-2-18(12-21)15-35-23-5-4-22(13-20(23)14-30-35)32-26-25-19(6-10-34(25)31-17-2
9-26)16-33-9-7-24(36)28-8-11-33/h1-6,10,12-14,17H,7-9,11,15-16H2,(H,28,36)(H,29,31,32)
InChIKeyBOURCKXZYDOVSP-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
Reference17368025
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 10288917
Drug Bank Link -
ChemSpider Link 8464386
ChEMBL Link CHEMBL233324
 
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