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    EVT-101

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Evt-101, Evt101, B55t45aa8f, 1189088-41-2, Evt-101 hydrochloride, Evt-101 dihydrochloride
    Molecular Formula
    C16H15Cl2F3N4
    Molecular Weight
    391.2  g/mol
    InChI Key
    OJBLXSPBJMGZDN-UHFFFAOYSA-N
    FDA UNII
    B55T45AA8F
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[3-(difluoromethyl)-4-fluorophenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine;dihydrochloride
    2.1.2 InChI
    InChI=1S/C16H13F3N4.2ClH/c1-10-20-4-5-23(10)9-13-6-12(8-21-22-13)11-2-3-15(17)14(7-11)16(18)19;;/h2-8,16H,9H2,1H3;2*1H
    2.1.3 InChI Key
    OJBLXSPBJMGZDN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC=CN1CC2=NN=CC(=C2)C3=CC(=C(C=C3)F)C(F)F.Cl.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    B55T45AA8F
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-(3-(difluoromethyl)-4-fluorophenyl)-3-((2-methyl-1h-imidazol-1-yl)methyl)pyridazine

    2. Evt-101

    2.3.2 Depositor-Supplied Synonyms

    1. Evt-101

    2. Evt101

    3. B55t45aa8f

    4. 1189088-41-2

    5. Evt-101 Hydrochloride

    6. Evt-101 Dihydrochloride

    7. Chembl3545349

    8. Dtxsid001336448

    9. Db05956

    10. Q27274392

    11. Pyridazine, 5-(3-(difluoromethyl)-4-fluorophenyl)-3-((2-methyl-1h-imidazol-1-yl)methyl)-, Hydrochloride (1:2)

    2.4 Create Date
    2014-03-02
    3 Chemical and Physical Properties
    Molecular Weight 391.2 g/mol
    Molecular Formula C16H15Cl2F3N4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass390.0625864 g/mol
    Monoisotopic Mass390.0625864 g/mol
    Topological Polar Surface Area43.6 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity384
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Drug and Medication Information
    4.1 Drug Indication

    Investigated for use/treatment in alzheimer's disease, neurologic disorders, pain (acute or chronic), and parkinson's disease.

    5 Pharmacology and Biochemistry
    5.1 Mechanism of Action

    EVT 101 penetrates the brain at doses that are well tolerated in man and expected to be clinically relevant, shows activity in areas relevant to pain and, importantly, modulates the activity of specific brain regions during the performance of cognitive tasks relevant to Alzheimer's disease.