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    Onvansertib

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: 1034616-18-6, Nms-1286937, Nms-p937, Onvansertib free base, Onvansertib [usan], Nms-p937 (nms1286937)
    Molecular Formula
    C24H27F3N8O3
    Molecular Weight
    532.5  g/mol
    InChI Key
    QHLVBNKYJGBCQJ-UHFFFAOYSA-N
    FDA UNII
    67RM91WDHQ
    Onvansertib is an orally bioavailable, adenosine triphosphate (ATP) competitive inhibitor of polo-like kinase 1 (PLK1; PLK-1; STPK13), with potential antineoplastic activity. Upon administration, onvansertib selectively binds to and inhibits PLK1, which disrupts mitosis and induces selective G2/M cell-cycle arrest followed by apoptosis in PLK1-overexpressing tumor cells. PLK1, named after the polo gene of Drosophila melanogaster, is a serine/threonine kinase that is crucial for the regulation of mitosis, and plays a key role in tumor cell proliferation. PLK1 expression is upregulated in a variety of tumor cell types and high expression is associated with increased aggressiveness and poor prognosis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(2-hydroxyethyl)-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
    2.1.2 InChI
    InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)
    2.1.3 InChI Key
    QHLVBNKYJGBCQJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCN(CC1)C2=CC(=C(C=C2)OC(F)(F)F)NC3=NC=C4CCC5=C(C4=N3)N(N=C5C(=O)N)CCO
    2.2 Other Identifiers
    2.2.1 UNII
    67RM91WDHQ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(2-hydroxyethyl)-8-(5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino)-4,5-dihydropyrazolo(4,3-h)quinazoline-3-carboxamide

    2.3.2 Depositor-Supplied Synonyms

    1. 1034616-18-6

    2. Nms-1286937

    3. Nms-p937

    4. Onvansertib Free Base

    5. Onvansertib [usan]

    6. Nms-p937 (nms1286937)

    7. Pcm-075

    8. Nms1286937

    9. 67rm91wdhq

    10. Chembl1738758

    11. Onvansertib (usan)

    12. 1-(2-hydroxyethyl)-8-((5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl)amino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide

    13. 1-(2-hydroxyethyl)-8-[[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino]-4,5-dihydropyrimido[5,4-g]indazole-3-carboxamide

    14. 1-(2-hydroxyethyl)-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide

    15. Nms 1286937

    16. 1h-pyrazolo(4,3-h)quinazoline-3-carboxamide, 4,5-dihydro-1-(2-hydroxyethyl)-8-((5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl)amino)-

    17. 1-(2-hydroxyethyl)-8-(5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino)-4,5-dihydropyrazolo(4,3-h)quinazoline-3-carboxamide

    18. 1h-pyrazolo[4,3-h]quinazoline-3-carboxamide, 4,5-dihydro-1-(2-hydroxyethyl)-8-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]-;1h-pyrazolo[4,3-h]quinazoline-3-carboxamide, 4,5-dihydro-1-(2-hydroxyethyl)-8-[[5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl]amino]-

    19. Unii-67rm91wdhq

    20. 1-(2-hydroxyethyl)-8-((5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl)amino)-4,5-dihydro-1h-pyrazolo(4,3-h)quinazoline-3-carboxamide

    21. Onvansertib [inn]

    22. Onvansertib [who-dd]

    23. Gtpl7918

    24. Nms P937

    25. Schembl1228019

    26. Dtxsid701025917

    27. Hms3653g04

    28. Hms3673e21

    29. Bcp28066

    30. Ex-a1590

    31. Bdbm50343559

    32. Nsc781344

    33. Nsc800806

    34. S7255

    35. Who 11172

    36. Zinc43196885

    37. Ccg-269924

    38. Cs-3146

    39. Db15110

    40. Nsc-781344

    41. Nsc-800806

    42. Sb16941

    43. Ncgc00386361-03

    44. Ac-36303

    45. Hy-15828

    46. Nms-1286937,nms-p937

    47. B4094

    48. Sw219402-1

    49. A13045

    50. D11458

    51. A896452

    52. Polo-like Kinase 1 Inhibitor Nms-1286937

    53. Q27087959

    54. 1-(2-hydroxy-ethyl)-8-[5-(4-methyl-piperazin-1-yl)-2-trifluoromethoxy-phenylamino]-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide

    55. 1-(2-hydroxyethyl)-8-(5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenylamino)-4,5-dihydro-1h-pyrazolo[4,3-h]quinazoline-3-carboxamide

    56. 1-(2-hydroxyethyl)-8-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}-1h,4h,5h-pyrazolo[4,3-h]quinazoline-3-carboxamide

    2.4 Create Date
    2010-12-20
    3 Chemical and Physical Properties
    Molecular Weight 532.5 g/mol
    Molecular Formula C24H27F3N8O3
    XLogP32
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count7
    Exact Mass532.21582124 g/mol
    Monoisotopic Mass532.21582124 g/mol
    Topological Polar Surface Area135 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity817
    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 MeSH Pharmacological Classification

    Protein Kinase Inhibitors

    Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)