Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002543
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article8g compound
IUPAC Name1-({4-[(4-methylphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl}methyl)piperidin-4-amine
FormulaC19H24N6
Mass336.4341
Exact Mass336.2062448
Composition C (67.83%), H (7.19%), N (24.98%)
Atom Count49
PI12.9
Smilesn1cnc(c2n1ccc2CN1CC[C@H](CC1)N)Nc1ccc(cc1)C
InChI1S/C19H24N6/c1-14-2-4-17(5-3-14)23-19-18-15(6-11-25(18)22-13-21-19)12-24-9-7-16(20)8-10-24/h2-6,11,1
3,16H,7-10,12,20H2,1H3,(H,21,22,23)
InChIKeyDNUXMLXSNBBBRZ-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
Reference21177105
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 21874431
Drug Bank Link -
ChemSpider Link 10620767
ChEMBL Link CHEMBL1645471
 
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