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    Serabelisib

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1268454-23-4, Mln1117, Mln-1117, Ink1117, Ink-1117, Agn-pc-0db6fl
    Molecular Formula
    C19H17N5O3
    Molecular Weight
    363.4  g/mol
    InChI Key
    BLGWHBSBBJNKJO-UHFFFAOYSA-N
    FDA UNII
    43J9Q56T3W
    an investigational PI3Kalpha-selective inhibitor
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
    2.1.2 InChI
    InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)
    2.1.3 InChI Key
    BLGWHBSBBJNKJO-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    43J9Q56T3W
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (6-(2-amino-1,3-benzoxazol-5-yl)imidazo(1,2-a)pyridin-3-yl)(4-morpholinyl)methanone

    2. Tak-117

    3. Ink1117

    4. Mln1117

    2.3.2 Depositor-Supplied Synonyms

    1. 1268454-23-4

    2. Mln1117

    3. Mln-1117

    4. Ink1117

    5. Ink-1117

    6. Agn-pc-0db6fl

    7. Tak-117

    8. [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone

    9. Methanone, [6-(2-amino-5-benzoxazolyl)imidazo[1,2-a]pyridin-3-yl]-4-morpholinyl-

    10. 43j9q56t3w

    11. 5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine

    12. (6-(2-amino-5-benzoxazolyl)imidazo(1,2-a)pyridin-3-yl)-4-morpholinylmethanone

    13. Methanone, (6-(2-amino-5-benzoxazolyl)imidazo(1,2-a)pyridin-3-yl)-4-morpholinyl-

    14. (6-(2-amino-1,3-benzoxazol-5-yl)imidazo(1,2-a)pyridin-3-yl)(4-morpholinyl)methanone

    15. Serabelisibum

    16. (6-(2-amino-1,3-benzoxazol-5-yl)imidazo(1,2-a)pyridin-3-yl)-morpholin-4-ylmethanone

    17. [6-(2-amino-5-benzoxazolyl)imidazo[1,2-a]pyridin-3-yl]-4-morpholinylmethanone

    18. 5-(3-(morpholine-4-carbonyl)imidazo(1,2-a)pyridin-6-yl)-1,3-benzoxazol-2-amine

    19. Refchem:182491

    20. Tak 117

    21. (6-(2-aminobenzo[d]oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl)(morpholino)methanone

    22. Serabelisib [inn]

    23. Mfcd15146372

    24. Mln 1117

    25. [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholino-methanone

    26. [6-(2-amino-5-benzoxazolyl)imidazo[1,2-a]pyridin-3-yl]-4-morpholinyl-methanone

    27. Unii-43j9q56t3w

    28. C19h17n5o3

    29. Serabelisib [who-dd]

    30. Gtpl8969

    31. Orb1304485

    32. Chembl3935857

    33. Schembl12928418

    34. Schembl29382156

    35. Bdbm119531

    36. Ex-a1112

    37. Ink 1117

    38. Mln1117; Ink1117

    39. Nsc795384

    40. S8581

    41. Akos030526373

    42. Ccg-268203

    43. Cs-5490

    44. Db14935

    45. Ebc-520105

    46. Nsc-795384

    47. 1428967-74-1

    48. Ac-33667

    49. As-73722

    50. Hy-12285

    51. Db-084944

    52. Ink-1117,mln-1117,tak-117

    53. Serabelisib(tak-117,ink1117,mln1117)

    54. Serabelisib(tak-117,ink1117,mln1117)?

    55. Us9682141, 54

    56. Serabelisib (ink-1117,mln-1117,tak-117)

    57. Us9682141, 529

    58. Brd-k73877023-001-01-9

    59. Q27078071

    2.4 Create Date
    2013-03-21
    3 Chemical and Physical Properties
    Molecular Weight 363.4 g/mol
    Molecular Formula C19H17N5O3
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area98.9
    Heavy Atom Count27
    Formal Charge0
    Complexity557
    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.

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