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selumetinib English (Q7448840)

Item Discussion
chemical compound
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Language Label Description Also known as
British English
No label defined
chemical compound

    Statements

    CAS registry number
    606143-52-6
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    6UH91I579U
    language of work or name
    English
    title
    selumetinib (English)
    retrieved
    18 November 2016
    InChIKey
    CYOHGALHFOKKQC-UHFFFAOYSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    10 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=606143-52-6
    PubChem CID
    10127622
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10127622
    language of work or name
    English
    title
    Selumetinib (English)
    retrieved
    18 November 2016
    chemical formula
    C₁₇H₁₅BrClFN₄O₃
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10127622
    language of work or name
    English
    title
    Selumetinib (English)
    retrieved
    18 November 2016
    InChI
    InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10127622
    language of work or name
    English
    title
    Selumetinib (English)
    retrieved
    18 November 2016
    InChIKey
    CYOHGALHFOKKQC-UHFFFAOYSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10127622
    language of work or name
    English
    title
    Selumetinib (English)
    retrieved
    18 November 2016
    stated in
    Q98915402 (Deleted Item)
    KEGG ID English
    D09666
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    90227
    language of work or name
    English
    title
    selumetinib (English)
    retrieved
    19 October 2016
    ChemSpider ID
    8303141
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    8303141
    language of work or name
    English
    title
    Selumetinib (English)
    retrieved
    18 November 2016
    UNII English
    6UH91I579U
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    6UH91I579U
    language of work or name
    English
    title
    selumetinib (English)
    retrieved
    18 November 2016
    ChEBI ID
    90227
    mapping relation type English
    exact match English
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL1614701
    language of work or name
    English
    title
    SELUMETINIB (English)
    retrieved
    18 November 2016
    ChEMBL ID
    CHEMBL1614701
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL1614701
    language of work or name
    English
    title
    SELUMETINIB (English)
    retrieved
    18 November 2016
    Guide to Pharmacology Ligand ID English
    5665
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    5665
    language of work or name
    English
    title
    selumetinib (English)
    retrieved
    18 November 2016
    SMILES
    CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10127622
    language of work or name
    English
    title
    Selumetinib (English)
    retrieved
    18 November 2016
    ECHA InfoCard ID
    100.169.311
    1 reference
    stated in
    Q59911453 (Deleted Item)
    ECHA InfoCard ID
    100.169.311
    retrieved
    27 December 2018
    title
    5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-1,3-benzodiazole-6-carboxamide (English)
    quotation
    CAS no.: 606143-52-6 (English)
    World Health Organisation international non-proprietary name English
    selumetinib (English)
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    90227
    language of work or name
    English
    title
    selumetinib (English)
    retrieved
    19 October 2016
    Reaxys registry number English
    11099648
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    90227
    language of work or name
    English
    title
    selumetinib (English)
    retrieved
    19 October 2016
    PDB structure ID English
    4U7Z
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    4U7Z
    language of work or name
    English
    title
    4U7Z (English)
    retrieved
    19 October 2016
    mass
    456±0 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10127622
    language of work or name
    English
    title
    Selumetinib (English)
    retrieved
    18 November 2016
    DSSTox substance ID English
    DTXSID3048944
    1 reference
    stated in
    Q28061352 (Deleted Item)
    DrugBank ID English
    11689
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    11689
    language of work or name
    English
    title
    Selumetinib (English)
    publication date
    3 July 2018
    EC number
    641-434-6
    1 reference
    stated in
    Q59911453 (Deleted Item)
    ECHA InfoCard ID
    100.169.311
    retrieved
    27 December 2018
    title
    5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-1,3-benzodiazole-6-carboxamide (English)
    quotation
    CAS no.: 606143-52-6 (English)
    physically interacts with
    Q21100360 (Deleted Item)
    subject has role
    allosteric modulator English
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    5665
    language of work or name
    English
    retrieved
    17 August 2016
    Microsoft Academic ID
    2776087337
    0 references
    DSSTOX compound identifier English
    DTXCID0028870
    0 references
    PDB ligand ID English
    3EW
    0 references
    Freebase ID
    /m/0h1bvvc
    0 references
    MedlinePlus drug identifier English
    a620030
    0 references
    P11199 (Deleted Property)
    PD003249 Property P11199 not found, cannot determine the data type to use.
    0 references
    P11143 (Deleted Property)
    Selumetinib Property P11143 not found, cannot determine the data type to use.
    0 references
     
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