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    Nemiralisib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1254036-71-9, Gsk-2269557 free base, Gsk2269557, Nemiralisib [usan], Oep8jj3ozr, Gsk2269557a
    Molecular Formula
    C26H28N6O
    Molecular Weight
    440.5  g/mol
    InChI Key
    MCIDWGZGWVSZMK-UHFFFAOYSA-N
    FDA UNII
    OEP8JJ3OZR
    Nemiralisib is under investigation in clinical trial NCT03345407 (Dose Finding Study of Nemiralisib (GSK2269557) in Subjects With an Acute Moderate or Severe Exacerbation of Chronic Obstructive Pulmonary Disease (COPD)).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
    2.1.2 InChI
    InChI=1S/C26H28N6O/c1-17(2)32-10-8-31(9-11-32)16-19-14-28-26(33-19)22-12-18(13-25-23(22)15-29-30-25)20-4-3-5-24-21(20)6-7-27-24/h3-7,12-15,17,27H,8-11,16H2,1-2H3,(H,29,30)
    2.1.3 InChI Key
    MCIDWGZGWVSZMK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)N1CCN(CC1)CC2=CN=C(O2)C3=C4C=NNC4=CC(=C3)C5=C6C=CNC6=CC=C5
    2.2 Other Identifiers
    2.2.1 UNII
    OEP8JJ3OZR
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6-(1h-indol-4-yl)-4-(5-((4-(1-methylethyl)-1-piperazinyl)methyl)-1,3-oxazol-2-yl)-1h-indazole

    2. Gsk2269557

    2.3.2 Depositor-Supplied Synonyms

    1. 1254036-71-9

    2. Gsk-2269557 Free Base

    3. Gsk2269557

    4. Nemiralisib [usan]

    5. Oep8jj3ozr

    6. Gsk2269557a

    7. 2-[6-(1h-indol-4-yl)-1h-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole

    8. Chembl2216859

    9. Gsk2269557 (free Base)

    10. Gsk-2269557a

    11. 6-(1h-indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1h-indazole

    12. 1h-indazole, 6-(1h-indol-4-yl)-4-(5-((4-(1-methylethyl)-1-piperazinyl)methyl)-2-oxazolyl)-

    13. 1h-indazole, 6-(1h-indol-4-yl)-4-[5-[[4-(1-methylethyl)-1-piperazinyl]methyl]-2-oxazolyl]-

    14. 6-(1h-indol-4-yl)-4-(5-((4-(1-methylethyl)-1-piperazinyl)methyl)-1,3-oxazol-2-yl)-1h-indazole

    15. Gsk2269557 Free Base

    16. Unii-oep8jj3ozr

    17. Nemiralisib [inn]

    18. Nemiralisib (usan/inn)

    19. Nemiralisib [who-dd]

    20. Schembl109919

    21. Gtpl9425

    22. Pi3kdelta Inhibitor Gs2269557

    23. Ex-a5754

    24. Bdbm50004529

    25. Hy-19535a

    26. S7937

    27. Zinc95564436

    28. Ccg-269127

    29. Compound 2 [pmid: 26301626]

    30. Cs-5683

    31. Ac-35584

    32. Da-36928

    33. Ft-0716060

    34. D11267

    35. Q27467143

    36. 2-(6-(1h-indol-4-yl)-1h-indazol-4-yl)-5-((4-isopropylpiperazin-1-yl)methyl)oxazole

    37. 4-(5-(4-isopropyl-1-piperazinyl)methyl-2-oxazolyl)-6-(1h-indole-4-yl)-1h-indazole

    38. 6-(1h-indol-4-yl)-4-(5-((4-(1-methylethyl)-1-piperazinyl)methyl)-2-oxazolyl)-1h-indazole

    39. Vvx

    2.4 Create Date
    2010-12-06
    3 Chemical and Physical Properties
    Molecular Weight 440.5 g/mol
    Molecular Formula C26H28N6O
    XLogP33.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass440.23245954 g/mol
    Monoisotopic Mass440.23245954 g/mol
    Topological Polar Surface Area77 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity655
    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

    Protein Kinase Inhibitors

    Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)