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    Enzastaurin

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    DIGITAL CONTENT

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    2D Structure
    Also known as: 170364-57-5, Ly317615, Enzastaurin (ly317615), 3-(1-methyl-1h-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)piperidin-4-yl)-1h-indol-3-yl)-1h-pyrrole-2,5-dione, Ly-317615, 3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione
    Molecular Formula
    C32H29N5O2
    Molecular Weight
    515.6  g/mol
    InChI Key
    AXRCEOKUDYDWLF-UHFFFAOYSA-N
    FDA UNII
    UC96G28EQF
    Enzastaurin, an investigational, targeted, oral agent, will be evaluated at more than 100 sites worldwide for the treatment of relapsed glioblastoma multiforme (GBM), an aggressive and malignant form of brain cancer.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione
    2.1.2 InChI
    InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)
    2.1.3 InChI Key
    AXRCEOKUDYDWLF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6CCN(CC6)CC7=CC=CC=N7
    2.2 Other Identifiers
    2.2.1 UNII
    UC96G28EQF
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ly317615.hcl

    2.3.2 Depositor-Supplied Synonyms

    1. 170364-57-5

    2. Ly317615

    3. Enzastaurin (ly317615)

    4. 3-(1-methyl-1h-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)piperidin-4-yl)-1h-indol-3-yl)-1h-pyrrole-2,5-dione

    5. Ly-317615

    6. 3-(1-methylindol-3-yl)-4-[1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]indol-3-yl]pyrrole-2,5-dione

    7. Db102

    8. Uc96g28eqf

    9. Ly 317615

    10. Chembl300138

    11. Db-102

    12. Dsstox_cid_24029

    13. Dsstox_rid_80101

    14. Dsstox_gsid_44029

    15. 3-(1-methyl-1h-indol-3-yl)-4-(1-(1-(pyridin-2-ylmethyl)-piperidin-4-yl)-1h-indol-3-yl)-1h-pyrrole-2,5-dione

    16. 1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1h-indol-3-yl)-

    17. 3-(1-methyl-1h-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1h-indol-3-yl)-1h-pyrrole-2,5-dione

    18. 3-(1-methyl-1h-indol-3-yl)-4-{1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1h-indol-3-yl}-1h-pyrrole-2,5-dione

    19. Enzastaurin [inn]

    20. Cas-170364-57-5

    21. Unii-uc96g28eqf

    22. 3-(1-methyl-1h-indol-3-yl)-4-[1-[1-(2-pyridinylmethyl)-4-piperidinyl]-1h-indol-3-yl]-1h-pyrrole-2,5-dione

    23. Le-0014

    24. Enzastaurin [mi]

    25. Enzastaurin [usan:inn]

    26. Enzastaurin,ly317615

    27. Enzastaurin [usan]

    28. Enzastaurin; Ly317615

    29. Enzastaurin [who-dd]

    30. Ly317615 - Enzastaurin

    31. Schembl678748

    32. Gtpl5693

    33. Dtxsid5044029

    34. Chebi:91368

    35. Amy7827

    36. Bcpp000241

    37. Hms3265m05

    38. Hms3265m06

    39. Hms3265n05

    40. Hms3265n06

    41. Hms3654a13

    42. Hms3748e03

    43. Bcp02703

    44. Ex-a1055

    45. Who 8426

    46. Zinc1494900

    47. Tox21_113367

    48. Bdbm50128285

    49. Mfcd11040980

    50. Nsc767124

    51. Nsc800096

    52. S1055

    53. Akos015994764

    54. Tox21_113367_1

    55. Ac-5900

    56. Bcp9000648

    57. Ccg-264797

    58. Cs-0132

    59. Db06486

    60. Nsc-767124

    61. Nsc-800096

    62. Sb16481

    63. Ncgc00238452-01

    64. Ncgc00238452-02

    65. Ncgc00238452-03

    66. Ncgc00238452-11

    67. Hy-10342

    68. Db-064781

    69. Ft-0667873

    70. Sw219797-1

    71. Ec-000.2315

    72. 364e575

    73. J-510442

    74. Q5381479

    75. Brd-k79404599-001-01-0

    76. 3-(1-methyl-1h-indol-3-yl)-4-(1-(1-(2-pyridinylmethyl)-4-piperidinyl)-1h-indol-3-yl)-1h-pyrrole-2,5-

    77. 3-(1-methyl-1h-indol-3-yl)-4-[1-(1-pyridin-2-ylmethyl-piperidin-4-yl)-1h-indol-3-yl]-pyrrole-2,5-dione

    78. 3-(1-methyl-1h-indol-3-yl)-4-{1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1h-indol-3-yl}-2,5-dihydro-1h-pyrrole-2,5-dione

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 515.6 g/mol
    Molecular Formula C32H29N5O2
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass515.23212518 g/mol
    Monoisotopic Mass515.23212518 g/mol
    Topological Polar Surface Area72.2 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity974
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Investigated for use/treatment in brain cancer, lymphoma (non-hodgkin's), and lung cancer.

    5 Pharmacology and Biochemistry
    5.1 Mechanism of Action

    Enzastaurin is an oral serine-threonine kinase inhibitor that is designed to suppress tumor growth through multiple mechanisms. Preclinical data indicate it may reduce the cell's ability to reproduce (cell proliferation), increase the natural death of the tumor cells (apoptosis), and inhibit tumor- induced blood supply (angiogenesis). Enzastaurin has been shown to inhibit signaling through the PKC-B and PI3K/AKT pathways. These pathways have been shown to be activated in a wide variety of cancers. In addition to glioblastoma, enzastaurin is also being studied in multiple other tumor types, including non-Hodgkin's lymphoma, colorectal cancer, non-small cell lung cancer, pancreatic cancer, and mantle cell lymphoma.