Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001454
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article28 compound
IUPAC Name[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol
FormulaC21H17FN6O
Mass388.3977
Exact Mass388.1447874
Composition C (64.94%), H (4.41%), F (4.89%), N (21.64%), O (4.12%)
Atom Count46
PI8.32
Smilesn1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)CO
InChI1S/C21H17FN6O/c22-17-3-1-2-14(8-17)11-28-19-5-4-18(9-16(19)10-24-28)26-21-20-15(12-29)6-7-27(20)25-1
3-23-21/h1-10,13,29H,11-12H2,(H,23,25,26)
InChIKeyMYVUJYZUPJWAOE-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
Reference17270437
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 22390542
Drug Bank Link -
ChemSpider Link 11389085
ChEMBL Link CHEMBL246276
 
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