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    Silmitasertib

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    DIGITAL CONTENT

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    2D Structure
    Also known as: 1009820-21-6, Cx-4945, 5-((3-chlorophenyl)amino)benzo[c][2,6]naphthyridine-8-carboxylic acid, Cx4945, Cx 4945, Cx-4945 (silmitasertib)
    Molecular Formula
    C19H12ClN3O2
    Molecular Weight
    349.8  g/mol
    InChI Key
    MUOKSQABCJCOPU-UHFFFAOYSA-N
    FDA UNII
    C6RWP0N0L2
    Silmitasertib is an orally bioavailable small-molecule inhibitor of the enzyme casein kinase II (CK2), with potential antineoplastic, anti-viral and immunomodulatory activities. Upon oral administration, silmitasertib selectively binds to and inhibits the activity of CK2. This may inhibit proliferation of CK2-expressing tumor cells, and may also inhibit the replication of severe acute respiratory syndrome coronavirus-2 (SARS-COV-2). In addition, this may restore normal host cell cytokine regulation, prevent cytokine storm and suppress the hyperactivation of the innate immune system. CK2, a protein kinase often overexpressed in a variety of cancer cell types, appears to be correlated with malignant transformation, tumor growth and survival. CK2 regulates a diverse array of pro-survival cellular processes including epidermal growth factor receptor (EGFR) signaling, PI3K/AKT/mTOR signaling, hedgehog (Hh) signaling, Hsp90 machinery, hypoxia, and interleukin (IL)-6 expression. CK2 also regulates the activity of XRCC1 and MDC1, two mediator/adaptor proteins that are essential for DNA repair. CK2 is upregulated by SARS-COV-2 and is associated with SARS-COV-2 viral replication and the development of cytokine storm.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
    2.1.2 InChI
    InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
    2.1.3 InChI Key
    MUOKSQABCJCOPU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)Cl)NC2=NC3=C(C=CC(=C3)C(=O)O)C4=C2C=CN=C4
    2.2 Other Identifiers
    2.2.1 UNII
    C6RWP0N0L2
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-(3-chlorophenylamino)benzo(c)(2,6)naphthyridine-8-carboxylic Acid

    2. Cx 4945

    3. Cx-4945

    4. Cx4945

    2.3.2 Depositor-Supplied Synonyms

    1. 1009820-21-6

    2. Cx-4945

    3. 5-((3-chlorophenyl)amino)benzo[c][2,6]naphthyridine-8-carboxylic Acid

    4. Cx4945

    5. Cx 4945

    6. Cx-4945 (silmitasertib)

    7. Silmitasertib [inn]

    8. Cx4945 (silmitasertib)

    9. 5-(3-chlorophenylamino)benzo[c][2,6]naphthyridine-8-carboxylic Acid

    10. 5-[(3-chlorophenyl)amino]-benzo[c]-2,6-naphthyridine-8-carboxylic Acid

    11. Cx-4945 Free Acid

    12. C6rwp0n0l2

    13. Silmitasertib (cx-4945)

    14. Chembl1230165

    15. 5-((3-chlorophenyl)amino)benzo-[c][2,6]naphthyridine-8-carboxylic Acid

    16. 5-[(3-chlorophenyl)amino]benzo[c]2,6-naphthyridine-8-carboxylic Acid

    17. 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic Acid

    18. 5-(3-chlorophenylamino)benzo(c)(2,6)naphthyridine-8-carboxylic Acid

    19. Unii-c6rwp0n0l2

    20. Benzo[c]-2,6-naphthyridine-8-carboxylic Acid, 5-[(3-chlorophenyl)amino]-

    21. 5-((3-chlorophenyl)amino)benzo(c)(2,6)naphthyridine-8-carboxylic Acid

    22. Benzo(c)-2,6-naphthyridine-8-carboxylic Acid, 5-((3-chlorophenyl)amino)-

    23. 3ng

    24. 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylic Acid

    25. Silmitasertib; Cx 4945

    26. Cx-4945 (silmitaserib)

    27. Cx 4945 (silmitasertib)

    28. Cx-4945 - Silmitasertib

    29. Schembl629082

    30. Silmitasertib [who-dd]

    31. Gtpl8126

    32. Dtxsid40143602

    33. Ex-a070

    34. Hms3244m13

    35. Hms3244m14

    36. Hms3244n13

    37. Hms3655f16

    38. Hms3746e13

    39. Bcp02399

    40. Bdbm50335638

    41. Mfcd13184796

    42. Nsc761193

    43. Nsc800885

    44. S2248

    45. Zinc58638454

    46. 5-[(3-chlorophenyl)amino]benzo[c]-2,6-naphthyridine-8-carboxylic Acid

    47. Akos005266722

    48. Bcp9000560

    49. Ccg-264955

    50. Cs-0563

    51. Db15408

    52. Ex-8673

    53. Nsc-761193

    54. Nsc-800885

    55. Sb17201

    56. Ncgc00263192-01

    57. Ncgc00263192-02

    58. Ncgc00263192-09

    59. Ac-28426

    60. As-16253

    61. Hy-50855

    62. Db-016103

    63. Ft-0723994

    64. Sw218157-2

    65. A25034

    66. J-000296

    67. J-516169

    68. W-204393

    69. Cx-4945,cas:1009820-21-6

    70. Q27076934

    71. 5-[(3-chlorophenyl)amino]pyrido[4,3-c]quinoline-8-carboxylic Acid

    2.4 Create Date
    2008-03-17
    3 Chemical and Physical Properties
    Molecular Weight 349.8 g/mol
    Molecular Formula C19H12ClN3O2
    XLogP34.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass349.0618043 g/mol
    Monoisotopic Mass349.0618043 g/mol
    Topological Polar Surface Area75.1 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity491
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1