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    Muvalaplin

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: 2565656-70-2, Muvalaplin [usan], Ly3473329, Hsu2ky4efk, Unii-hsu2ky4efk, Ly-3473329
    Molecular Formula
    C42H54N4O6
    Molecular Weight
    710.9  g/mol
    InChI Key
    BRLGERLDHZRETI-BGBFCPIGSA-N
    FDA UNII
    HSU2KY4EFK
    MUVALAPLIN is a small molecule drug with a maximum clinical trial phase of II (across all indications) and has 2 investigational indications.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-3-[3-[[bis[[3-[(2S)-2-carboxy-2-[(3R)-pyrrolidin-3-yl]ethyl]phenyl]methyl]amino]methyl]phenyl]-2-[(3R)-pyrrolidin-3-yl]propanoic acid
    2.1.2 InChI
    InChI=1S/C42H54N4O6/c47-40(48)37(34-10-13-43-22-34)19-28-4-1-7-31(16-28)25-46(26-32-8-2-5-29(17-32)20-38(41(49)50)35-11-14-44-23-35)27-33-9-3-6-30(18-33)21-39(42(51)52)36-12-15-45-24-36/h1-9,16-18,34-39,43-45H,10-15,19-27H2,(H,47,48)(H,49,50)(H,51,52)/t34-,35-,36-,37-,38-,39-/m0/s1
    2.1.3 InChI Key
    BRLGERLDHZRETI-BGBFCPIGSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    HSU2KY4EFK
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2565656-70-2

    2. Muvalaplin [usan]

    3. Ly3473329

    4. Hsu2ky4efk

    5. Unii-hsu2ky4efk

    6. Ly-3473329

    7. Muvalaplin (usan)

    8. Who 12607

    9. (2s,2's,2''s)-3,3',3''-((nitrilotris(methylene))tris(benzene-3,1-diyl))tris(2-((r)-pyrrolidin-3-yl)propanoic Acid)

    10. (2s)-3-[3-[[bis[[3-[(2s)-2-carboxy-2-[(3r)-pyrrolidin-3-yl]ethyl]phenyl]methyl]amino]methyl]phenyl]-2-[(3r)-pyrrolidin-3-yl]propanoic Acid

    11. 3-pyrrolidineacetic Acid, Alpha,alpha',alpha''- (nitrilotris(methylene-3,1-phenylenemethylene))tris-,(alphas,alpha's,alpha''s,3r,3'r,3''r)-

    12. Muvalaplin [inn]

    13. Chembl4802585

    14. Schembl22750411

    15. Gtpl12939

    16. Glxc-27761

    17. Ex-a9182

    18. At43355

    19. Da-65716

    20. Hy-152857

    21. Cs-0641200

    22. D12460

    23. (13r,2s,10s,113r)-6-[(3-{(2s)-2-carboxy-2-[(3r)-pyrrolidin-3-yl]ethyl}phenyl)methyl]-6-aza-1,11(3)-dipyrrolidina-4,8(1,3)-dibenzenaundecaphane-2,10-dicarboxylic Acid

    24. (2s)-3-[3-[[bis[[3-[(2s)-2-carboxy-2-[(3r)-pyrrolidin-3-yl]ethyl]phenyl]methyl]amino]phenyl]-2-[(3r)-pyrrolidin-3-yl]propanoic Acid

    25. 3-pyrrolidineacetic Acid, Alpha,alpha',alpha''- [nitrilotris(methylene-3,1-phenylenemethylene)]tris-, (alphas,alpha's,alpha''s,3r,3'r,3''r)-

    2.4 Create Date
    2021-01-23
    3 Chemical and Physical Properties
    Molecular Weight 710.9 g/mol
    Molecular Formula C42H54N4O6
    XLogP3-2.8
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count18
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area151
    Heavy Atom Count52
    Formal Charge0
    Complexity1020
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1