Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004073
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article1k 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-carboxamide
FormulaC27H27FN8O
Mass498.5547
Exact Mass498.2291857
Composition C (65.05%), H (5.46%), F (3.81%), N (22.48%), O (3.21%)
Atom Count64
PI11.41
Smilesc1(c2n(ncn1)ccc2CN1CC[C@H](CC1)C(=O)N)Nc1cc2c(cc1)n(nc2)Cc1cc(ccc1)F
InChI1S/C27H27FN8O/c28-22-3-1-2-18(12-22)15-36-24-5-4-23(13-21(24)14-31-36)33-27-25-20(8-11-35(25)32-17-3
0-27)16-34-9-6-19(7-10-34)26(29)37/h1-5,8,11-14,17,19H,6-7,9-10,15-16H2,(H2,29,37)(H,30,32,33)
InChIKeyYRLXEVJADNDLHA-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23292088
ChEMBL Link CHEMBL398388
 
TOP