Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001470
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article27 compound
IUPAC Name1-[(3-fluorophenyl)methyl]-N-(5-{[(6R)-1,4-oxazepan-6-ylmethoxy]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-indazol-5-amine
FormulaC27H28FN7O2
Mass501.5553
Exact Mass501.2288514
Composition C (64.66%), H (5.63%), F (3.79%), N (19.55%), O (6.38%)
Atom Count65
PI12.03
Smiles[C@H]1(COCc2c3c(ncnn3cc2)Nc2ccc3c(c2)cnn3Cc2cccc(c2)F)CNCCOC1
InChI1S/C27H28FN7O2/c28-23-3-1-2-19(10-23)14-35-25-5-4-24(11-22(25)13-31-35)33-27-26-21(6-8-34(26)32-18-3
0-27)17-37-16-20-12-29-7-9-36-15-20/h1-6,8,10-11,13,18,20,29H,7,9,12,14-17H2,(H,30,32,33)/t20-/m0/s1
InChIKeyQIHGEXNGPGTFID-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
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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 23305119
ChEMBL Link CHEMBL395591
 
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