Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004088
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article1e compound
IUPAC Name2-({[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}amino)ethan-1-ol
FormulaC23H22FN7O
Mass431.4655
Exact Mass431.1869866
Composition C (64.03%), H (5.14%), F (4.4%), N (22.72%), O (3.71%)
Atom Count54
PI11.64
Smilesc1(c2n(ncn1)ccc2CNCCO)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F
InChI1S/C23H22FN7O/c24-19-3-1-2-16(10-19)14-31-21-5-4-20(11-18(21)13-27-31)29-23-22-17(12-25-7-9-32)6-8-3
0(22)28-15-26-23/h1-6,8,10-11,13,15,25,32H,7,9,12,14H2,(H,26,28,29)
InChIKeyOYULNTIUXDXAGV-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 10159833
Drug Bank Link -
ChemSpider Link 8335341
ChEMBL Link CHEMBL391321
 
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