Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001466
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article23 compound
IUPAC Name1-[(3-fluorophenyl)methyl]-N-(5-{[(3S)-piperidin-3-ylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-indazol-5-amine
FormulaC27H28FN7O
Mass485.5559
Exact Mass485.2339368
Composition C (66.79%), H (5.81%), F (3.91%), N (20.19%), O (3.3%)
Atom Count64
PI12.36
Smiles[C@H]1(CNCCC1)COCc1c2c(ncnn2cc1)Nc1ccc2c(c1)cnn2Cc1cccc(c1)F
InChI1S/C27H28FN7O/c28-23-5-1-3-19(11-23)15-35-25-7-6-24(12-22(25)14-31-35)33-27-26-21(8-10-34(26)32-18-3
0-27)17-36-16-20-4-2-9-29-13-20/h1,3,5-8,10-12,14,18,20,29H,2,4,9,13,15-17H2,(H,30,32,33)/t20-/m0/s1
InChIKeyAPCFVCIEZAMJBU-FQEVSTJZSA-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 44440831
Drug Bank Link -
ChemSpider Link 23305114
ChEMBL Link CHEMBL246073
 
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