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    Vebreltinib

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    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Vebreltinib, 1440964-89-5, Plb-1001, Apl-101, Vebreltinib [usan], Cbi-3103
    Molecular Formula
    C20H15F3N8
    Molecular Weight
    424.4  g/mol
    InChI Key
    QHXLXUIZUCJRKV-UHFFFAOYSA-N
    FDA UNII
    2WZP8A9VFN
    Vebreltinib is an orally bioavailable inhibitor of the proto-oncogene c-Met (hepatocyte growth factor receptor; HGFR) with potential antineoplastic activity. Upon administration, vebreltinib selectively binds to c-Met, thereby inhibiting c-Met phosphorylation and disrupting c-Met signal transduction pathways. This may induce cell death in tumor cells overexpressing or expressing constitutively activated c-Met protein. c-Met, a receptor tyrosine kinase overexpressed or mutated in many tumor cell types, plays key roles in tumor cell proliferation, survival, invasion, metastasis, and tumor angiogenesis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
    2.1.2 InChI
    InChI=1S/C20H15F3N8/c1-29-9-11-6-14(15(21)7-17(11)27-29)20(22,23)19-26-25-18-5-4-16(28-31(18)19)12-8-24-30(10-12)13-2-3-13/h4-10,13H,2-3H2,1H3
    2.1.3 InChI Key
    QHXLXUIZUCJRKV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C=C2C=C(C(=CC2=N1)F)C(C3=NN=C4N3N=C(C=C4)C5=CN(N=C5)C6CC6)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    2WZP8A9VFN
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Vebreltinib

    2. 1440964-89-5

    3. Plb-1001

    4. Apl-101

    5. Vebreltinib [usan]

    6. Cbi-3103

    7. 2wzp8a9vfn

    8. Cbt-101

    9. 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine

    10. 1,2,4-triazolo(4,3-b)pyridazine, 6-(1-cyclopropyl-1h-pyrazol-4-yl)-3-(difluoro(6- Fluoro-2-methyl-2h-indazol-5-yl)methyl)-

    11. 6-(1-cyclopropyl-1h-pyrazol-4-yl)-3-(difluoro(6-fluoro-2-methyl-2h-indazol-5- Yl)methyl)-1,2,4-triazolo(4,3-b)pyridazine

    12. Unii-2wzp8a9vfn

    13. Vebreltinib [inn]

    14. Bozitinib (plb-1001)

    15. Vebreltinib [who-dd]

    16. Chembl4650443

    17. Schembl15594471

    18. Gtpl11677

    19. Plb1001

    20. Bdbm107096

    21. Ex-a5644

    22. S6762

    23. Who 11677

    24. Hy-125017

    25. Cs-0088607

    26. Us9695175, 44

    27. A937089

    28. Plb-1001;t-101; Apl-101; Cbi-3103

    29. 6-(1-cyclopropyl-1h-pyrazol-4-yl)-3-(difluoro(6-fluoro-2-methyl-2h-indazol-5-yl)methyl)-[1,2,4]triazolo[4,3-b]pyridazine

    2.4 Create Date
    2013-12-23
    3 Chemical and Physical Properties
    Molecular Weight 424.4 g/mol
    Molecular Formula C20H15F3N8
    XLogP32.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count4
    Exact Mass424.13717700 g/mol
    Monoisotopic Mass424.13717700 g/mol
    Topological Polar Surface Area78.7 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity681
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1