Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003403
Inhibitor ClassTriazine
Molecule Name in Refrence Article50 compound
IUPAC Name5-[(6-{5-[difluoro(methanesulfonyl)methyl]-1,3,4-oxadiazol-2-yl}-5-(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2,4-difluoro-N-methoxybenzamide
FormulaC21H19F4N7O5S
Mass557.478
Exact Mass557.1104503
Composition C (45.24%), H (3.44%), F (13.63%), N (17.59%), O (14.35%), S (5.75%)
Atom Count57
PI4.74
Smilesc1(c(c2n(c1)ncnc2Nc1cc(c(cc1F)F)C(=O)NOC)C(C)C)c1oc(C(S(=O)(=O)C)(F)F)nn1
InChI1S/C21H19F4N7O5S/c1-9(2)15-11(19-29-30-20(37-19)21(24,25)38(4,34)35)7-32-16(15)17(26-8-27-32)28-14-5
-10(18(33)31-36-3)12(22)6-13(14)23/h5-9H,1-4H3,(H,31,33)(H,26,27,28)
InChIKeyFAYFMVHYNQOQRQ-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
Reference15943473
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesPDGFR beta | IGF1R | CDK2 | PKC alpha | FGFR1 | Flk-1 | VEGFR2 | LCK | ALL
Pub Chem Link 11432911
Drug Bank Link -
ChemSpider Link 9607784
ChEMBL Link CHEMBL195903
 
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