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    Enpatoran

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    2D Structure
    Also known as: 2101938-42-3, M5049, Enpatoran [inn], Enpatoran [usan], Unii-7cz390v26x, 7cz390v26x
    Molecular Formula
    C16H15F3N4
    Molecular Weight
    320.31  g/mol
    InChI Key
    BJXYHBKEQFQVES-NWDGAFQWSA-N
    FDA UNII
    7CZ390V26X
    ENPATORAN 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
    5-[(3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile
    2.1.2 InChI
    InChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11-,12+/m0/s1
    2.1.3 InChI Key
    BJXYHBKEQFQVES-NWDGAFQWSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    7CZ390V26X
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2101938-42-3

    2. M5049

    3. Enpatoran [inn]

    4. Enpatoran [usan]

    5. Unii-7cz390v26x

    6. 7cz390v26x

    7. 5-[(3r,5s)-3-amino-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile

    8. M-5049

    9. Enpatoran [who-dd]

    10. 5-((3r,5s)-3-amino-5-trifluoromethylpiperidin-1-yl)quinoline-8-carbonitrile

    11. 8-quinolinecarbonitrile, 5-((3r,5s)-3-amino-5-(trifluoromethyl)-1-piperidinyl)-

    12. 5-((3r,5s)-3-amino-5-(trifluoromethyl)piperidin-1-yl)quinoline-8-carbonitrile

    13. Refchem:136984

    14. Tlr 7/8 Antagonist M5049

    15. Tlr 7/8 Inhibitor M5049

    16. M 5049

    17. Enpatoran [usan:inn]

    18. Who 11880

    19. 5-[(3~{r},5~{s})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile

    20. Enpatoran (usan/inn)

    21. Orb1298016

    22. Chembl4802159

    23. Schembl18980030

    24. Schembl29722092

    25. Gtpl11307

    26. Glxc-23927

    27. Ex-a5509

    28. Mfcd34471096

    29. Akos040759872

    30. Compound 73 [wo2017106607a1]

    31. Ms-24729

    32. Hy-134581

    33. Cs-0145642

    34. D12261

    35. F96161

    36. Qlh

    2.4 Create Date
    2017-08-04
    3 Chemical and Physical Properties
    Molecular Weight 320.31 g/mol
    Molecular Formula C16H15F3N4
    XLogP32.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count1
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area65.9
    Heavy Atom Count23
    Formal Charge0
    Complexity472
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Mechanism of Action

    M5049 is a small molecule Toll-like receptor (TLR)7 and TLR8 inhibitor. The drug blocks activation of TLR7/8, thereby stopping immune cell activation, inflammation, and the progression into a cyotkine storm. The drug is currently being investigated against COVID-19.

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