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    JBI-802

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: Jbi-802, Chembl5314919, Schembl25388591, N-hydroxy-4-((4-((((1r,2s)-2-phenylcyclopropyl) amino)methyl)-1h-pyrazol-1-yl)methyl)benzamide hydrogen bromide
    Molecular Formula
    C21H23BrN4O2
    Molecular Weight
    443.3  g/mol
    InChI Key
    VYVGGNXALTUECS-CMXBXVFLSA-N
    FDA UNII
    8GSV79C4QX
    JBI-802 is a small molecule drug with a maximum clinical trial phase of I and has 1 investigational indication.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-hydroxy-4-[[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]pyrazol-1-yl]methyl]benzamide;hydrobromide
    2.1.2 InChI
    InChI=1S/C21H22N4O2.BrH/c26-21(24-27)18-8-6-15(7-9-18)13-25-14-16(12-23-25)11-22-20-10-19(20)17-4-2-1-3-5-17;/h1-9,12,14,19-20,22,27H,10-11,13H2,(H,24,26);1H/t19-,20+;/m0./s1
    2.1.3 InChI Key
    VYVGGNXALTUECS-CMXBXVFLSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    8GSV79C4QX
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Jbi-802

    2. Chembl5314919

    3. Schembl25388591

    4. N-hydroxy-4-((4-((((1r,2s)-2-phenylcyclopropyl) Amino)methyl)-1h-pyrazol-1-yl)methyl)benzamide Hydrogen Bromide

    2.4 Create Date
    2023-01-03
    3 Chemical and Physical Properties
    Molecular Weight 443.3 g/mol
    Molecular Formula C21H23BrN4O2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count7
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area79.2
    Heavy Atom Count28
    Formal Charge0
    Complexity489
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2