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    ORIC-101

    DEVELOPMENTS

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    2D Structure
    Also known as: Oric-101, Chembl4161754, 2222344-98-9, Unii-vi6e2d3cyp, Oric101, Oric-101 [who-dd]
    Molecular Formula
    C34H47NO2
    Molecular Weight
    501.7  g/mol
    InChI Key
    VNLTWJIWEYPBIF-KMSLUKAPSA-N
    FDA UNII
    VI6E2D3CYP
    Glucocorticoid Receptor Antagonist ORIC-101 is a mifepristone-based steroidal glucocorticoid receptor (GR) antagonist with potential antineoplastic activity. Upon oral administration, ORIC-101 selectively binds to GRs, thereby inhibiting the activation of GR-mediated proliferative and anti-apoptotic gene expression pathways. The GR, a member of the nuclear receptor superfamily of ligand-dependent transcription factors, is overexpressed in certain tumor types and may be associated with tumor cell proliferation and treatment resistance. Inhibition of GR activity may potentially slow tumor cell growth and disease progression in certain cancers. Due to its reduced androgen receptor (AR) agonistic activity and improved cytochrome P450 2C8 (CYP2C8) and 2C9 (CYP2C9) inhibition profile, ORIC-101 may be useful in the treatment of AR-positive tumors with reduced potential for drug-drug interactions.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (8R,9S,10R,11S,13S,14S,17S)-17-(3,3-dimethylbut-1-ynyl)-17-hydroxy-13-methyl-11-[4-[methyl(propan-2-yl)amino]phenyl]-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
    2.1.2 InChI
    InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1
    2.1.3 InChI Key
    VNLTWJIWEYPBIF-KMSLUKAPSA-N
    2.1.4 Canonical SMILES
    CC(C)N(C)C1=CC=C(C=C1)C2CC3(C(CCC3(C#CC(C)(C)C)O)C4C2C5CCC(=O)C=C5CC4)C
    2.1.5 Isomeric SMILES
    CC(C)N(C)C1=CC=C(C=C1)[C@H]2C[C@]3([C@@H](CC[C@]3(C#CC(C)(C)C)O)[C@H]4[C@H]2[C@H]5CCC(=O)C=C5CC4)C
    2.2 Other Identifiers
    2.2.1 UNII
    VI6E2D3CYP
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Oric-101

    2. Chembl4161754

    3. 2222344-98-9

    4. Unii-vi6e2d3cyp

    5. Oric101

    6. Oric-101 [who-dd]

    7. Schembl20048238

    8. Bdbm50368933

    9. Hy-112710

    10. Cs-0062840

    11. 19,21-dinorchol-4-en-20(22)-yn-3-one, 17-hydroxy-23,23-dimethyl-11-(4-(methyl(1-methylethyl)amino)phenyl)-, (11.beta.,17.alpha.)-

    12. 19,21-dinorchol-4-en-20(22)-yn-3-one, 17-hydroxy-23,23-dimethyl-11-(4-(methyl(1-methylethyl)amino)phenyl)-, (11beta,17alpha)-

    2.4 Create Date
    2018-06-23
    3 Chemical and Physical Properties
    Molecular Weight 501.7 g/mol
    Molecular Formula C34H47NO2
    XLogP36.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass501.360679742 g/mol
    Monoisotopic Mass501.360679742 g/mol
    Topological Polar Surface Area40.5 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity982
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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