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bedaquiline English (Q1257318)

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

    Statements

    Freebase ID
    /m/02rhrm4
    1 reference
    stated in
    Q15241312 (Deleted Item)
    publication date
    28 October 2013
    CAS registry number
    843663-66-1
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    78846I289Y
    language of work or name
    English
    title
    bedaquiline (English)
    retrieved
    18 November 2016
    InChIKey
    QUIJNHUBAXPXFS-XLJNKUFUSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    9 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=843663-66-1
    PubChem CID
    5388906
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    5388906
    language of work or name
    English
    title
    Bedaquiline (English)
    retrieved
    18 November 2016
    ChEBI ID
    72292
    mapping relation type English
    exact match English
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL376488
    language of work or name
    English
    title
    BEDAQUILINE (English)
    retrieved
    18 November 2016
    chemical formula
    C₃₂H₃₁BrN₂O₂
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    5388906
    language of work or name
    English
    title
    Bedaquiline (English)
    retrieved
    18 November 2016
    InChI
    InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    5388906
    language of work or name
    English
    title
    Bedaquiline (English)
    retrieved
    18 November 2016
    InChIKey
    QUIJNHUBAXPXFS-XLJNKUFUSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    5388906
    language of work or name
    English
    title
    Bedaquiline (English)
    retrieved
    18 November 2016
    stated in
    Q98915402 (Deleted Item)
    ChemSpider ID
    4534966
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    4534966
    language of work or name
    English
    title
    Bedaquiline (English)
    retrieved
    18 November 2016
    DrugBank ID English
    08903
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    08903
    language of work or name
    English
    title
    Bedaquiline (English)
    retrieved
    18 November 2016
    UNII English
    78846I289Y
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    78846I289Y
    language of work or name
    English
    title
    bedaquiline (English)
    retrieved
    18 November 2016
    instance of
    chemical compound
    0 references
    pharmaceutical drug
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    08903
    language of work or name
    English
    title
    Bedaquiline (English)
    publication date
    17 November 2015
    Q35456 (Deleted Item)
    0 references
    ChEMBL ID
    CHEMBL376488
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL376488
    language of work or name
    English
    title
    BEDAQUILINE (English)
    retrieved
    18 November 2016
    KEGG ID English
    C14122
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    72292
    language of work or name
    English
    title
    bedaquiline (English)
    retrieved
    19 October 2016
    D09872
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    72292
    language of work or name
    English
    title
    bedaquiline (English)
    retrieved
    19 October 2016
    ATC code English
    J04AK05
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    08903
    language of work or name
    English
    title
    Bedaquiline (English)
    publication date
    17 November 2015
    NDF-RT ID English
    N0000187065
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    78846I289Y
    language of work or name
    English
    title
    bedaquiline (English)
    retrieved
    18 November 2016
    subclass of
    Q804539 (Deleted Item)
    2 references
    ChEBI ID
    72292
    stated in
    Q902623 (Deleted Item)
    Q16899782 (Deleted Item)
    1 reference
    stated in
    Q21008030 (Deleted Item)
    NDF-RT ID English
    N0000187065
    retrieved
    27 February 2018
    isomeric SMILES
    CN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    5388906
    language of work or name
    English
    title
    Bedaquiline (English)
    retrieved
    18 November 2016
    SMILES
    CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    5388906
    language of work or name
    English
    title
    Bedaquiline (English)
    retrieved
    18 November 2016
    Reaxys registry number English
    10733008
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    72292
    language of work or name
    English
    title
    bedaquiline (English)
    retrieved
    19 October 2016
    World Health Organisation international non-proprietary name English
    bedaquiline (English)
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    72292
    language of work or name
    English
    title
    bedaquiline (English)
    retrieved
    19 October 2016
    mass
    554.157 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    5388906
    language of work or name
    English
    title
    Bedaquiline (English)
    retrieved
    18 November 2016
    PDB structure ID English
    4V1F
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    4V1F
    language of work or name
    English
    title
    4V1F (English)
    retrieved
    19 October 2016
    UMLS CUI English
    C1664205
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    78846I289Y
    language of work or name
    English
    title
    bedaquiline (English)
    retrieved
    18 November 2016
    RxNorm ID English
    1364504
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    78846I289Y
    language of work or name
    English
    title
    bedaquiline (English)
    retrieved
    18 November 2016
    pregnancy category English
    Q28123616 (Deleted Item)
    1 reference
    imported from Wikimedia project
    English Wikipedia
    PDB ligand ID English
    BQ1
    0 references
    Commons category
    Bedaquiline
    0 references
    defined daily dose English
    86 http://www.wikidata.org/entity/Q3241121
    route of administration English
    Q285166 (Deleted Item)
    1 reference
    reference URL
    https://www.whocc.no/atc_ddd_index/?code=J04AK05
    active ingredient in English
    Q29006489 (Deleted Item)
    1 reference
    stated in
    RxNorm English
    RxNorm ID English
    1364510
    retrieved
    14 February 2018
    subject has role
    Q427492 (Deleted Item)
    1 reference
    stated in
    Q21008030 (Deleted Item)
    NDF-RT ID English
    N0000187065
    retrieved
    5 March 2018
    Q584144 (Deleted Item)
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C493870
    retrieved
    15 March 2018
    MeSH
    C493870
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C493870
    retrieved
    14 March 2018
    Römpp online ID English
    RD-02-04264
    1 reference
    imported from Wikimedia project
    Q48183 (Deleted Item)
    medical condition treated
    Q13046587 (Deleted Item)
    1 reference
    stated in
    Q56863002 (Deleted Item)
    retrieved
    2 October 2018
    Q866602 (Deleted Item)
    start time
    28 December 2012
    approved by
    Q204711 (Deleted Item)
    1 reference
    stated in
    Q57664317 (Deleted Item)
    retrieved
    2 November 2018
    reference URL
    https://drugs.ncats.io/drug/78846I289Y
    http://www.accessdata.fda.gov/drugsatfda_docs/label/2015/204384s006lbl.pdf
    DSSTox substance ID English
    DTXSID80903989
    0 references
    LiverTox ID English
    Bedaquiline
    0 references
    Microsoft Academic ID
    2780544761
    0 references
    DSSTOX compound identifier English
    DTXCID501331924
    0 references
    Guide to Pharmacology Ligand ID English
    11171
    1 reference
    stated in
    Q17091219 (Deleted Item)
    retrieved
    5 February 2021
    LiverTox likelihood score English
    Q83284878 (Deleted Item)
    1 reference
    stated in
    Q78239405 (Deleted Item)
    retrieved
    8 April 2021
    reference URL
    https://www.ncbi.nlm.nih.gov/books/n/livertox/Bedaquiline
    last update English
    22 September 2017
    HSDB ID English
    8217
    1 reference
    stated in
    Hazardous Substances Data Bank
    HSDB ID English
    8217
    publication date
    28 October 2019
    title
    Bedaquiline (English)
    retrieved
    10 May 2021
    OpenAlex ID
    C2780544761
    1 reference
    stated in
    Q107507571 (Deleted Item)
    retrieved
    26 January 2022
    reference URL
    https://docs.openalex.org/download-snapshot/snapshot-data-format
    MedlinePlus drug identifier English
    a613022
    0 references
    P11199 (Deleted Property)
    PD009177 Property P11199 not found, cannot determine the data type to use.
    0 references
    P11143 (Deleted Property)
    Bedaquiline Property P11143 not found, cannot determine the data type to use.
    0 references
    P11375 (Deleted Property)
    KIDWAW Property P11375 not found, cannot determine the data type to use.
    1 reference
    stated in
    Cambridge Structural Database English
    retrieved
    10 January 2023
    based on heuristic
    Q100452164 (Deleted Item)
    CCDC Number English
    619587
    1 reference
    stated in
    Cambridge Structural Database English
    retrieved
    10 January 2023
    based on heuristic
    Q100452164 (Deleted Item)
     
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