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    TERN-101

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1103500-20-4, Ly2562175, Ly-2562175, Vva2zdv3lx, Tern-101, Chembl3746388
    Molecular Formula
    C28H27Cl2N3O4
    Molecular Weight
    540.4  g/mol
    InChI Key
    RPVDFHPBGBMWID-UHFFFAOYSA-N
    FDA UNII
    VVA2ZDV3LX
    TERN-101 is under investigation in clinical trial NCT04328077 (LIFT Study: A Safety, Tolerability, Efficacy, and Pharmacokinetics Study of TERN-101 in Subjects With Non-cirrhotic Non-alcoholic Steatohepatitis (NASH)).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindole-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C28H27Cl2N3O4/c1-32-14-20(28(34)35)19-8-7-17(13-24(19)32)33-11-9-18(10-12-33)36-15-21-26(31-37-27(21)16-5-6-16)25-22(29)3-2-4-23(25)30/h2-4,7-8,13-14,16,18H,5-6,9-12,15H2,1H3,(H,34,35)
    2.1.3 InChI Key
    RPVDFHPBGBMWID-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C=C(C2=C1C=C(C=C2)N3CCC(CC3)OCC4=C(ON=C4C5=C(C=CC=C5Cl)Cl)C6CC6)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    VVA2ZDV3LX
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)piperidin-1-yl)-1-methyl-1h-indole-3-carboxylic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 1103500-20-4

    2. Ly2562175

    3. Ly-2562175

    4. Vva2zdv3lx

    5. Tern-101

    6. Chembl3746388

    7. 6-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)piperidin-1-yl)-1-methyl-1h-indole-3-carboxylic Acid

    8. 1h-indole-3-carboxylic Acid, 6-(4-((5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl)methoxy)-1-piperidinyl)-1-methyl-

    9. Unii-vva2zdv3lx

    10. Schembl1097262

    11. Ex-a2794

    12. Bdbm50500349

    13. Sb19684

    14. Ac-36270

    15. Hy-103704

    16. Cs-0033341

    17. J3.552.460f

    18. 6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]piperidin-1-yl]-1-methylindole-3-carboxylic Acid

    19. 6-{4-[5-cyclopropyl-3-(2,6-dichloro-phenyl)-isoxazol-4-ylmethoxy]-piperidin-1-yl}-1-methyl-1h-indole-3-carboxylic Acid

    2.4 Create Date
    2009-04-06
    3 Chemical and Physical Properties
    Molecular Weight 540.4 g/mol
    Molecular Formula C28H27Cl2N3O4
    XLogP35.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count7
    Exact Mass539.1378617 g/mol
    Monoisotopic Mass539.1378617 g/mol
    Topological Polar Surface Area80.7 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity800
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1