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    Deucravacitinib

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

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    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: Bms-986165, 1609392-27-9, Tyk2-in-4, Bms986165, Deucravacitinib [usan], N0a21n6rau
    Molecular Formula
    C20H22N8O3
    Molecular Weight
    425.5  g/mol
    InChI Key
    BZZKEPGENYLQSC-FIBGUPNXSA-N
    FDA UNII
    N0A21N6RAU
    Deucravacitinib is under investigation in clinical trial NCT04772079 (A Study to Evaluate the Drug Levels, Efficacy and Safety of BMS-986165 in Adolescent Participants With Moderate to Severe Plaque Psoriasis).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
    2.1.2 InChI
    InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)/i1D3
    2.1.3 InChI Key
    BZZKEPGENYLQSC-FIBGUPNXSA-N
    2.1.4 Canonical SMILES
    CNC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4
    2.1.5 Isomeric SMILES
    [2H]C([2H])([2H])NC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4
    2.2 Other Identifiers
    2.2.1 UNII
    N0A21N6RAU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Bms-986165

    2.3.2 Depositor-Supplied Synonyms

    1. Bms-986165

    2. 1609392-27-9

    3. Tyk2-in-4

    4. Bms986165

    5. Deucravacitinib [usan]

    6. N0a21n6rau

    7. 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-n-(trideuteriomethyl)pyridazine-3-carboxamide

    8. Deucravacitinib (usan)

    9. Sotyktu

    10. Unii-n0a21n6rau

    11. Deucravacitinib [inn]

    12. Deucravacitinib [jan]

    13. Chembl4435170

    14. Deucravacitinib [who-dd]

    15. Schembl20520348

    16. Gtpl10432

    17. Ex-a3154

    18. Bdbm50507816

    19. Mfcd31715455

    20. Nsc825520

    21. S8879

    22. Tyk2-in-4(bms986165)

    23. Who 11342

    24. At18623

    25. Nsc-825520

    26. Compound 11 [pmid: 31318208}

    27. Ncgc00687789-01

    28. Ac-31543

    29. Hy-117287

    30. Cs-0065044

    31. D11817

    32. 3-pyridazinecarboxamide, 6-((cyclopropylcarbonyl)amino)-4-((2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl)amino)-n-(methyl-d3)-

    33. 3-pyridazinecarboxamide, 6-((cyclopropylcarbonyl)amino]-4-((2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl)amino)n-(methyl-d3)-

    34. 6-((cyclopropylcarbonyl)amino)-4-((2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl)amino)-n-(2h3)methyl-3-pyridazine-carboxamide

    35. 6-((cyclopropylcarbonyl)amino]-4-((2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl)amino)-n-((2h3)methyl)pyridazine-3-carboxamide

    36. 6-[(cyclopropylcarbonyl)amino]-4-[[2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl]amino]-n-(methyl-d3)-3-pyridazinecarboxamide

    2.4 Create Date
    2018-10-30
    3 Chemical and Physical Properties
    Molecular Weight 425.5 g/mol
    Molecular Formula C20H22N8O3
    XLogP31.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count7
    Exact Mass425.20031683 g/mol
    Monoisotopic Mass425.20031683 g/mol
    Topological Polar Surface Area136 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity648
    Isotope Atom Count3
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of psoriasis

    Treatment of Systemic Lupus Erythematosus (SLE)

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Dermatologic Agents

    Drugs used to treat or prevent skin disorders or for the routine care of skin. (See all compounds classified as Dermatologic Agents.)

    Protein Kinase Inhibitors

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

    5.2 ATC Code

    L - Antineoplastic and immunomodulating agents

    L04 - Immunosuppressants

    L04A - Immunosuppressants

    L04AA - Selective immunosuppressants

    L04AA56 - Deucravacitinib