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    Idalopirdine

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: 467459-31-0, Lu ae58054, Lu-ae58054, 2-(6-fluoro-1h-indol-3-yl)-n-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine, Lu ae 58054, 1h-indole-3-ethanamine, 6-fluoro-n-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]-
    Molecular Formula
    C20H19F5N2O
    Molecular Weight
    398.4  g/mol
    InChI Key
    YBAWYTYNMZWMMJ-UHFFFAOYSA-N
    FDA UNII
    59WCJ0YNWM
    Idalopirdine has been used in trials studying the treatment of Cognition, Schizophrenia, and Alzheimer's Disease.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine
    2.1.2 InChI
    InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2
    2.1.3 InChI Key
    YBAWYTYNMZWMMJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)OCC(C(F)F)(F)F)CNCCC2=CNC3=C2C=CC(=C3)F
    2.2 Other Identifiers
    2.2.1 UNII
    59WCJ0YNWM
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (2-(6-fluoro-1h-indol-3-yl)-ethyl)-(3-(2,2,3,3-tetrafluoropropoxy)benzyl)amine

    2. Lu Ae58054

    3. Lu-ae58054

    4. Luae58054

    2.3.2 Depositor-Supplied Synonyms

    1. 467459-31-0

    2. Lu Ae58054

    3. Lu-ae58054

    4. 2-(6-fluoro-1h-indol-3-yl)-n-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine

    5. Lu Ae 58054

    6. 1h-indole-3-ethanamine, 6-fluoro-n-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]-

    7. 59wcj0ynwm

    8. Sgs518

    9. Lu Ae-58054

    10. Lu-ae-58054

    11. Ly483518

    12. Ly-483518

    13. 2-(6-fluoro-1h-indol-3-yl)-n-(3-(2,2,3,3-tetrafluoropropoxy)benzyl)ethan-1-amine

    14. N-(2-(6-fluoro-1h-indol-3-yl)ethyl)-3-(2,2,3,3-tetrafluoropropoxy)benzylamine

    15. Unii-59wcj0ynwm

    16. Idalopirdine [usan:inn]

    17. Idlopirdine

    18. 1h-indole-3-ethanamine, 6-fluoro-n-((3-(2,2,3,3-tetrafluoropropoxy)phenyl)methyl)-

    19. Idalopirdine [usan]

    20. Idalopirdine (usan/inn)

    21. Idalopirdine [inn]

    22. Lu Ae58054;idalopirdine

    23. Idalopirdine [who-dd]

    24. Schembl762762

    25. Gtpl8689

    26. Idalopirdine(lu-ae-58054)

    27. Chembl3286580

    28. Ex-a844

    29. Dtxsid201026015

    30. Bcp08339

    31. Bdbm50019754

    32. Mfcd18633269

    33. Zinc95936819

    34. Akos028114439

    35. Cs-1347

    36. Db11957

    37. Sb16535

    38. Ncgc00378842-04

    39. Ac-30941

    40. Da-21188

    41. Hy-14338

    42. Ft-0700312

    43. D10710

    44. Q855545

    45. N-[3-(2,2,3,3-tetrafluoropropoxy)benzyl]-6-fluoro-1h-indole-3-ethanamine

    46. 1h-indole-3-ethanamine,6-fluoro-n-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]-

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 398.4 g/mol
    Molecular Formula C20H19F5N2O
    XLogP35
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count9
    Exact Mass398.14175404 g/mol
    Monoisotopic Mass398.14175404 g/mol
    Topological Polar Surface Area37 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity482
    Isotope Atom Count0
    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

    Investigated for use/treatment in neurologic disorders and schizophrenia and schizoaffective disorders.

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Serotonin Antagonists

    Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS. (See all compounds classified as Serotonin Antagonists.)

    5.2 Mechanism of Action

    SGS518 is a selective antagonist of the 5-Hydroxytryptamine-6 (5-HT6) serotonin receptor believed to act by enhancing transmission of chemicals in the brain.