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    Glecirasib

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: Glecirasib, Kras g12c inhibitor 62, Glecirasib [inn], Up75wh4qkm, Schembl23830094, Ex-a8185q
    Molecular Formula
    C31H26ClF4N7O2
    Molecular Weight
    640.0  g/mol
    InChI Key
    QRRJEUIQLZNPIO-UHFFFAOYSA-N
    FDA UNII
    UP75WH4QKM
    Glecirasib is an orally available inhibitor of the oncogenic KRAS substitution mutation, G12C, with potential antineoplastic activity. Upon oral administration, glecirasib selectively targets, binds to and inhibits the activity of the KRAS G12C mutant, thereby inhibiting KRAS G12C mutant-dependent signaling. KRAS, a member of the RAS family of oncogenes, serves an important role in cell signaling, division and differentiation. Mutations of KRAS may induce constitutive signal transduction leading to tumor cell growth, proliferation, invasion, and metastasis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-(2-amino-3,4,5,6-tetrafluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
    2.1.2 InChI
    InChI=1S/C31H26ClF4N7O2/c1-5-19(44)41-8-10-42(11-9-41)29-16-12-18(32)27(20-21(33)22(34)23(35)24(36)25(20)38)40-30(16)43(31(45)17(29)13-37)28-15(4)6-7-39-26(28)14(2)3/h5-7,12,14H,1,8-11,38H2,2-4H3
    2.1.3 InChI Key
    QRRJEUIQLZNPIO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=NC=C1)C(C)C)N2C3=NC(=C(C=C3C(=C(C2=O)C#N)N4CCN(CC4)C(=O)C=C)Cl)C5=C(C(=C(C(=C5F)F)F)F)N
    2.2 Other Identifiers
    2.2.1 UNII
    UP75WH4QKM
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Glecirasib

    2. Kras G12c Inhibitor 62

    3. Glecirasib [inn]

    4. Up75wh4qkm

    5. Schembl23830094

    6. Ex-a8185q

    7. Hy-143589

    8. Hy-157067

    9. Cs-0373885

    10. Cs-0904896

    11. 2657613-87-9

    12. 2658588-10-2

    2.4 Create Date
    2021-12-03
    3 Chemical and Physical Properties
    Molecular Weight 640.0 g/mol
    Molecular Formula C31H26ClF4N7O2
    XLogP34.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count5
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area119
    Heavy Atom Count45
    Formal Charge0
    Complexity1240
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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