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    INX-315

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: Inx-315, 2745060-92-6, Inx315, Schembl24052539, Us11643416, compound 3, Bdbm601935
    Molecular Formula
    C19H21N7O3S
    Molecular Weight
    427.5  g/mol
    InChI Key
    KGJVKYSVVOQPDL-UHFFFAOYSA-N
    FDA UNII
    2QD8YT8RWZ
    CDK2 Inhibitor INX-315 is an orally bioavailable small molecule inhibitor of cyclin-dependent kinase 2 (CDK2), with potential antineoplastic activity. Upon oral administration, CDK2 inhibitor INX-315 selectively targets, binds to and inhibits the activity of CDK2. This may lead to cell cycle arrest, the induction of apoptosis, and the inhibition of tumor cell proliferation. CDKs are serine/threonine kinases that are important regulators of cell cycle progression and cellular proliferation and are frequently overexpressed in tumor cells.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(12-oxospiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]benzenesulfonamide
    2.1.2 InChI
    InChI=1S/C19H21N7O3S/c20-30(28,29)14-6-4-13(5-7-14)22-18-21-11-12-10-15-24-25-17(27)19(8-2-1-3-9-19)26(15)16(12)23-18/h4-7,10-11,24H,1-3,8-9H2,(H,25,27)(H2,20,28,29)(H,21,22,23)
    2.1.3 InChI Key
    KGJVKYSVVOQPDL-UHFFFAOYSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    2QD8YT8RWZ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Inx-315

    2. 2745060-92-6

    3. Inx315

    4. Schembl24052539

    5. Us11643416, Compound 3

    6. Bdbm601935

    7. Ex-a8446

    8. Inx-315?

    9. Hy-162001

    10. Cs-0909828

    11. 4-((3'-oxo-2',3'-dihydro-1'h- Spiro[cyclohexane-1,4'- Pyrimido[5',4':4,5]pyrrolo[2,1- C][1,2,4]triazin]-7'- Yl)amino)benzenesulfonamide

    2.4 Create Date
    2021-12-13
    3 Chemical and Physical Properties
    Molecular Weight 427.5 g/mol
    Molecular Formula C19H21N7O3S
    XLogP32.4
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area152
    Heavy Atom Count30
    Formal Charge0
    Complexity759
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1