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    WNT974

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: 1243244-14-5, Lgk974, Lgk-974, Wnt-974, Wnt974, Lgk 974
    Molecular Formula
    C23H20N6O
    Molecular Weight
    396.4  g/mol
    InChI Key
    XXYGTCZJJLTAGH-UHFFFAOYSA-N
    FDA UNII
    U27F40013Q
    Porcupine Inhibitor WNT974 is an orally available inhibitor of porcupine (PORCN), with potential antineoplastic activity. Upon oral administration, WNT974 binds to and inhibits PORCN in the endoplasmic reticulum (ER), which blocks post-translational acylation of Wnt ligands and inhibits their secretion. This prevents the activation of Wnt ligands, interferes with Wnt-mediated signaling, and inhibits cell growth in Wnt-driven tumors. Porcupine, a membrane-bound O-acyltransferase (MBOAT), is required for the palmitoylation of Wnt ligands, and plays a key role in Wnt ligand secretion and activity. Wnt signaling is dysregulated in a variety of cancers.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[5-methyl-6-(2-methylpyridin-4-yl)pyridin-3-yl]-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide
    2.1.2 InChI
    InChI=1S/C23H20N6O/c1-15-9-17(12-28-23(15)18-5-6-25-16(2)10-18)11-22(30)29-21-4-3-19(13-27-21)20-14-24-7-8-26-20/h3-10,12-14H,11H2,1-2H3,(H,27,29,30)
    2.1.3 InChI Key
    XXYGTCZJJLTAGH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4
    2.2 Other Identifiers
    2.2.1 UNII
    U27F40013Q
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(2',3-dimethyl-(2,4'-bipyridin)-5-yl)-n-(5-(pyrazin-2-yl)pyridin-2-yl)acetamide

    2. Lgk-974

    3. Lgk974

    4. Wnt-974

    5. Wnt974

    2.3.2 Depositor-Supplied Synonyms

    1. 1243244-14-5

    2. Lgk974

    3. Lgk-974

    4. Wnt-974

    5. Wnt974

    6. Lgk 974

    7. Chebi:78030

    8. Lgk974 (wnt974)

    9. Chembl3188386

    10. U27f40013q

    11. 2-[5-methyl-6-(2-methyl-4-pyridyl)-3-pyridyl]-n-(5-pyrazin-2-yl-2-pyridyl)acetamide

    12. 2-[5-methyl-6-(2-methylpyridin-4-yl)pyridin-3-yl]-n-(5-pyrazin-2-ylpyridin-2-yl)acetamide

    13. [2,4'-bipyridine]-5-acetamide, 2',3-dimethyl-n-[5-(2-pyrazinyl)-2-pyridinyl]-

    14. 2-(2',3-dimethyl-(2,4'-bipyridin)-5-yl)-n-(5-(pyrazin-2-yl)pyridin-2-yl)acetamide

    15. 2-(2',3-dimethyl-2,4'-bipyridin-5-yl)-n-[5-(pyrazin-2-yl)pyridin-2-yl]acetamide

    16. 2-[(2p)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-n-[(5p)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide

    17. Unii-u27f40013q

    18. (2,4'-bipyridine)-5-acetamide, 2',3-dimethyl-n-(5-(2-pyrazinyl)-2-pyridinyl)-

    19. O50

    20. Porcn Inhibitor Iv

    21. Nvp-lgk974

    22. Mls006011002

    23. Schembl1723611

    24. Wnt-974 [who-dd]

    25. Gtpl11167

    26. Hms3653g11

    27. Bcp08495

    28. Ex-a1402

    29. Lgk-974 (wnt974)

    30. Bbl102809

    31. Bdbm50133870

    32. Cs3177

    33. Mfcd27501026

    34. Nsc777639

    35. S7143

    36. Stl556617

    37. Zinc95930187

    38. Akos025211913

    39. Ccg-264701

    40. Db12561

    41. Nsc-777639

    42. Sb19314

    43. Ncgc00347950-01

    44. Ncgc00347950-02

    45. Ncgc00347950-07

    46. Ncgc00347950-11

    47. Ac-30231

    48. Hy-17545

    49. Ms-20504

    50. Smr004702800

    51. Sw211728-2

    52. J3.551.731f

    53. A890524

    54. Au-004/43508401

    55. J-005066

    56. Q27147596

    57. Lgk 974;lgk974; Wnt974; Wnt 974; Wnt-974

    58. 2-(2',3-dimethyl-[2,4'-bipyridin]-5-yl)-n-(5-(pyrazin-2-yl)pyridin-2-yl)acetamide;lgk974

    2.4 Create Date
    2010-11-01
    3 Chemical and Physical Properties
    Molecular Weight 396.4 g/mol
    Molecular Formula C23H20N6O
    XLogP31.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass396.16985928 g/mol
    Monoisotopic Mass396.16985928 g/mol
    Topological Polar Surface Area93.6 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity560
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

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