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    Sonrotoclax

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2383086-06-2, Bgb-11417, Bgb11417, 30r67u9kys, Bgb 11417, N-[4-[(4-hydroxy-4-methylcyclohexyl)methylamino]-3-nitrophenyl]sulfonyl-4-[2-[(2s)-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
    Molecular Formula
    C49H59N7O7S
    Molecular Weight
    890.1  g/mol
    InChI Key
    ZQTKOYMWCCSKON-HCWAPQBJSA-N
    FDA UNII
    30R67U9KYS
    SONROTOCLAX is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 5 investigational indications.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[4-[(4-hydroxy-4-methylcyclohexyl)methylamino]-3-nitrophenyl]sulfonyl-4-[2-[(2S)-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
    2.1.2 InChI
    InChI=1S/C49H59N7O7S/c1-32(2)39-7-4-5-8-40(39)43-9-6-22-55(43)36-28-49(29-36)19-23-54(24-20-49)35-10-12-41(45(26-35)63-37-25-34-16-21-50-46(34)52-31-37)47(57)53-64(61,62)38-11-13-42(44(27-38)56(59)60)51-30-33-14-17-48(3,58)18-15-33/h4-5,7-8,10-13,16,21,25-27,31-33,36,43,51,58H,6,9,14-15,17-20,22-24,28-30H2,1-3H3,(H,50,52)(H,53,57)/t33?,43-,48?/m0/s1
    2.1.3 InChI Key
    ZQTKOYMWCCSKON-HCWAPQBJSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    30R67U9KYS
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2383086-06-2

    2. Bgb-11417

    3. Bgb11417

    4. 30r67u9kys

    5. Bgb 11417

    6. N-[4-[(4-hydroxy-4-methylcyclohexyl)methylamino]-3-nitrophenyl]sulfonyl-4-[2-[(2s)-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

    7. 98i

    8. Sonrotoclax [inn]

    9. Sonrotoclax [who-dd]

    10. Sonrotoclax (usan/inn)

    11. Sonrotoclax [usan]

    12. Orb1982765

    13. Chembl5314951

    14. Chembl5560668

    15. Schembl23457665

    16. Schembl24774450

    17. Schembl30658625

    18. Gtpl13354

    19. Bdbm567682

    20. Bdbm567800

    21. Glxc-27922

    22. Ex-a8026

    23. Us11420968, Example F43

    24. Us11420968, Example F48

    25. Bdbm50636456

    26. Nsc856894

    27. At48034

    28. Nsc-856894

    29. Compound 12e [pmid: 38695063]

    30. Da-58000

    31. Hy-148026

    32. Cs-0572444

    33. D12883

    34. 2-((1h-pyrrolo[2,3-b]pyridin-5-yl)oxy)-n-((4-((((1r,4r)-4-hydroxy-4-methylcyclohexyl)methyl)amino)-3-nitrophenyl)sulfonyl)-4-(2-((s)-2-(2-isopropylphenyl)pyrrolidin-1-yl)-7-azaspiro[3.5]nonan-7-yl)benzamide

    35. 2-((1h-pyrrolo[2,3-b]pyridin-5-yl)oxy)-n-((4-(((trans-4-hydroxy-4-methylcyclohexyl)methyl)amino)-3-nitrophenyl)sulfonyl)-4-(2-((s)-2-(2-isopropylphenyl)pyrrolidin-1-yl)-7-azaspiro[3.5]nonan-7-yl)benzamide

    36. Benzamide, N-[[4-[[(trans-4-hydroxy-4-methylcyclohexyl)methyl]amino]-3-nitrophenyl]sulfonyl]-4-[2-[(2s)-2-[2-(1-methylethyl)phenyl]-1-pyrrolidinyl]-7-azaspiro[3.5]non-7-yl]-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)-

    37. N-(4-{[(trans-4-hydroxy-4-methylcyclohexyl)methyl]amino}-3-nitrobenzene-1-sulfonyl)-4-(2-{(2s)-2-[2-(propan-2-yl)phenyl]pyrrolidin-1-yl}-7-azaspiro[3.5]nonan-7-yl)-2-[(1h-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide

    38. N-[[4-[[(trans-4-hydroxy-4-methylcyclohexyl)methyl]amino]-3-nitrophenyl]sulfonyl]-4-[2-[(2s)-2-[2-(1-methylethyl)phenyl]-1-pyrrolidinyl]-7-azaspiro[3.5]non-7-yl]-2-(1h-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

    2.4 Create Date
    2020-08-12
    3 Chemical and Physical Properties
    Molecular Weight 890.1 g/mol
    Molecular Formula C49H59N7O7S
    XLogP39.1
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count12
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area194
    Heavy Atom Count64
    Formal Charge0
    Complexity1700
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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