Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004092
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article1i compound
IUPAC Name1-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}piperidine-4-carboxylic acid
FormulaC27H26FN7O2
Mass499.5394
Exact Mass499.2132013
Composition C (64.92%), H (5.25%), F (3.8%), N (19.63%), O (6.41%)
Atom Count63
PI6.21
Smilesc1(c2n(ncn1)ccc2CN1CC[C@H](CC1)C(=O)O)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F
InChI1S/C27H26FN7O2/c28-22-3-1-2-18(12-22)15-35-24-5-4-23(13-21(24)14-30-35)32-26-25-20(8-11-34(25)31-17-
29-26)16-33-9-6-19(7-10-33)27(36)37/h1-5,8,11-14,17,19H,6-7,9-10,15-16H2,(H,36,37)(H,29,31,32)
InChIKeyAWFCPTZKALKFEK-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 -
Drug Bank Link -
ChemSpider Link 11389059
ChEMBL Link CHEMBL234772
 
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