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    Nelotanserin

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 839713-36-9, Apd125, Apd-125, 1-[3-(4-bromo-2-methylpyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea, 1-[3-(4-bromo-1-methyl-1h-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea, 1-[3-(4-bromo-2-methyl-2h-pyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
    Molecular Formula
    C18H15BrF2N4O2
    Molecular Weight
    437.2  g/mol
    InChI Key
    COSPVUFTLGQDQL-UHFFFAOYSA-N
    FDA UNII
    4ZA73QEW2P
    Nelotanserin has been used in trials studying the treatment of Lewy Body Dementia, Visual Hallucinations, Dementia With Lewy Bodies, and REM Sleep Behavior Disorder. It is a highly selective antagonist at the 5-HT2A serotonin receptor. It increases non-REM sleep, the most restorative phase of the sleep cycle, without sacrificing REM or dream sleep. Nelotanserin works through a mechanism of action that is different from currently marketed drugs.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[3-(4-bromo-2-methylpyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
    2.1.2 InChI
    InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26)
    2.1.3 InChI Key
    COSPVUFTLGQDQL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C(=C(C=N1)Br)C2=C(C=CC(=C2)NC(=O)NC3=C(C=C(C=C3)F)F)OC
    2.2 Other Identifiers
    2.2.1 UNII
    4ZA73QEW2P
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 839713-36-9

    2. Apd125

    3. Apd-125

    4. 1-[3-(4-bromo-2-methylpyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea

    5. 1-[3-(4-bromo-1-methyl-1h-pyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea

    6. 1-[3-(4-bromo-2-methyl-2h-pyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea

    7. 4za73qew2p

    8. Chembl598172

    9. 1-(3-(4-bromo-1-methyl-1h-pyrazol-5-yl)-4-methoxyphenyl)-3-(2,4-difluorophenyl)urea

    10. N-[3-(4-bromo-1-methyl-1h-pyrazol-5-yl)-4-methoxyphenyl]-n'-(2,4-difluorophenyl)-urea

    11. Nelotanserin [usan:inn]

    12. Unii-4za73qew2p

    13. Apd125(nelotanserin)

    14. Nelotanserin (usan/inn)

    15. Nelotanserin [inn]

    16. Nelotanserin [usan]

    17. Schembl2345325

    18. Apd 125

    19. Dtxsid40232868

    20. Chebi:177438

    21. Bcp24992

    22. Ex-a3147

    23. Bdbm50324541

    24. Mfcd16619341

    25. Zinc38239930

    26. Cs-5984

    27. Db12555

    28. Sb19023

    29. As-30117

    30. Hy-10559

    31. D09645

    32. 713b369

    33. Q6990276

    34. 1-[3-(4-bromo-2-methyl-2h-pyrazol-3-yl)-4-methoxy-phenyl]-3-(2,4-difluoro-phenyl)-urea

    35. 1-[3-(4-bromo-2-methyl-2h-pyrazol-3-yl)-4-methoxy-phenyl]-3-(2,4-difluoro-phenyl)urea

    36. 1-[3-(4-bromo-2-methylpyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-diluorophenyl)urea

    37. 1-(3-(4-bromo-2-methyl-2h-pyrazol-3-yl)-4-methoxyphenyl)-3-(2,4- Difluorophenyl)urea

    38. Urea, N-(3-(4-bromo-1-methyl-1h-pyrazol-5-yl)-4-methoxyphenyl)-n'-(2,4-difluorophenyl)-

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 437.2 g/mol
    Molecular Formula C18H15BrF2N4O2
    XLogP33.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass436.03464 g/mol
    Monoisotopic Mass436.03464 g/mol
    Topological Polar Surface Area68.2 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity518
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    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

    Nelotanserin potently and selectively targets the 5-HT2A serotonin receptor, blocking a stimulatory pathway of the central nervous system. This mechanism is not expected to have the side effects of the GABA-A treatments.