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    Zosurabalpin

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 2379336-76-0, Rg6006, Abx mcp, Ro7223280, 4-((11s,14s,17s)-14-(4-aminobutyl)-11-(3-aminopropyl)-17-(1h-indol-3-ylmethyl)-16-methyl-12,15,18-trioxo-2-thia-4,10,13,16,19-pentazatricyclo(19.4.0.03,8)pentacosa-1(25),3(8),4,6,21,23-hexaen-22-yl)benzoic acid, 4-[(11s,14s,17s)-14-(4-aminobutyl)-11-(3-aminopropyl)-17-(1h-indol-3-ylmethyl)-16-methyl-12,15,18-trioxo-2-thia-4,10,13,16,19-pentazatricyclo[19.4.0.03,8]pentacosa-1(25),3(8),4,6,21,23-hexaen-22-yl]benzoic acid
    Molecular Formula
    C43H50N8O5S
    Molecular Weight
    791.0  g/mol
    InChI Key
    NJFUXFYUHIHHOJ-FSEITFBQSA-N
    FDA UNII
    5Y6W5N1U0S
    ZOSURABALPIN is a small molecule drug with a maximum clinical trial phase of II and has 1 investigational indication.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(11S,14S,17S)-14-(4-aminobutyl)-11-(3-aminopropyl)-17-(1H-indol-3-ylmethyl)-16-methyl-12,15,18-trioxo-2-thia-4,10,13,16,19-pentazatricyclo[19.4.0.03,8]pentacosa-1(25),3(8),4,6,21,23-hexaen-22-yl]benzoic acid
    2.1.2 InChI
    InChI=1S/C43H50N8O5S/c1-51-37(23-30-25-47-34-12-3-2-10-32(30)34)40(53)49-26-33-31(27-16-18-28(19-17-27)43(55)56)11-6-15-38(33)57-41-29(9-8-22-46-41)24-48-35(14-7-21-45)39(52)50-36(42(51)54)13-4-5-20-44/h2-3,6,8-12,15-19,22,25,35-37,47-48H,4-5,7,13-14,20-21,23-24,26,44-45H2,1H3,(H,49,53)(H,50,52)(H,55,56)/t35-,36-,37-/m0/s1
    2.1.3 InChI Key
    NJFUXFYUHIHHOJ-FSEITFBQSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    5Y6W5N1U0S
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2379336-76-0

    2. Rg6006

    3. Abx Mcp

    4. Ro7223280

    5. 4-((11s,14s,17s)-14-(4-aminobutyl)-11-(3-aminopropyl)-17-(1h-indol-3-ylmethyl)-16-methyl-12,15,18-trioxo-2-thia-4,10,13,16,19-pentazatricyclo(19.4.0.03,8)pentacosa-1(25),3(8),4,6,21,23-hexaen-22-yl)benzoic Acid

    6. 4-[(11s,14s,17s)-14-(4-aminobutyl)-11-(3-aminopropyl)-17-(1h-indol-3-ylmethyl)-16-methyl-12,15,18-trioxo-2-thia-4,10,13,16,19-pentazatricyclo[19.4.0.03,8]pentacosa-1(25),3(8),4,6,21,23-hexaen-22-yl]benzoic Acid

    7. L-tryptophanamide, N2-((2-mercapto-3-pyridinyl)methyl)-l-ornithyl-l-lysyl-n-((4'-carboxy-3-mercapto(1,1'-biphenyl)-2-yl)methyl)-n2-methyl-, Cyclic (1->3)-thioether

    8. 5y6w5n1u0s

    9. Zosurabalpina

    10. Zosurabalpine

    11. Zosurabalpin [inn]

    12. Zosurabalpin (usan/inn)

    13. Zosurabalpin [usan]

    14. Unii-5y6w5n1u0s

    15. Chembl5314563

    16. Ex-a7717b

    17. Gtpl12950

    18. Bdbm612246

    19. At46791

    20. Rg-6006

    21. Da-59316

    22. Hy-147429

    23. Us20240050516, Example 1.00

    24. Cs-0564229

    25. Ro-7223280

    26. D12652

    27. 4-{(7s,10s,13s)-10-(4-aminobutyl)-7-(3-aminopropyl)-13-[(1h-indol-3-yl)methyl]-12-methyl-8,11,14-trioxo-5,6,7,8,9,10,11,12,13,14,15,16-dodecahydropyrido[2,3-b][1,5,8,11,14]benzothiatetraazacycloheptadecin-17-yl}benzoic Acid

    28. L-tryptophanamide, N2-[(2-mercapto-3-pyridinyl)methyl]-l-ornithyl-l-lysyl-n-[(4'-carboxy-3-mercapto[1,1'-biphenyl]-2-yl)methyl]-n2-methyl-, Cyclic (1-->3)-thioether

    29. N2.2.2.1,3-anhydro{n2-[(2-{[2-(aminomethyl)-4'-carboxy[1,1'-biphenyl]-3-yl]sulfanyl}pyridin-3-yl)methyl]-l-ornithyl-l-lysyl-n-methyl-l-tryptophan}

    2.4 Create Date
    2020-08-12
    3 Chemical and Physical Properties
    Molecular Weight 791.0 g/mol
    Molecular Formula C43H50N8O5S
    XLogP31.4
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count11
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area234
    Heavy Atom Count57
    Formal Charge0
    Complexity1320
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1