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tofacitinib English (Q3530324)

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

    Statements

    CAS registry number
    477600-75-2
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    87LA6FU830
    language of work or name
    English
    title
    tofacitinib (English)
    retrieved
    19 November 2016
    InChIKey
    UJLAWZDWDVHWOW-YPMHNXCESA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    10 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=477600-75-2
    PubChem CID
    9926791
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9926791
    language of work or name
    English
    title
    Tofacitinib (English)
    retrieved
    19 November 2016
    ChEBI ID
    71200
    mapping relation type English
    exact match English
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL221959
    language of work or name
    English
    title
    TOFACITINIB (English)
    retrieved
    19 November 2016
    ChEMBL ID
    CHEMBL221959
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL221959
    language of work or name
    English
    title
    TOFACITINIB (English)
    retrieved
    19 November 2016
    chemical formula
    C₁₆H₂₀N₆O
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9926791
    language of work or name
    English
    title
    Tofacitinib (English)
    retrieved
    19 November 2016
    InChI
    InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9926791
    language of work or name
    English
    title
    Tofacitinib (English)
    retrieved
    19 November 2016
    InChIKey
    UJLAWZDWDVHWOW-YPMHNXCESA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9926791
    language of work or name
    English
    title
    Tofacitinib (English)
    retrieved
    19 November 2016
    stated in
    Q98915402 (Deleted Item)
    ChemSpider ID
    8102425
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    8102425
    language of work or name
    English
    title
    Tofacitinib (English)
    retrieved
    19 November 2016
    UNII English
    87LA6FU830
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    87LA6FU830
    language of work or name
    English
    title
    tofacitinib (English)
    retrieved
    19 November 2016
    ATC code English
    L04AA29
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    08895
    language of work or name
    English
    title
    Tofacitinib (English)
    publication date
    17 November 2015
    KEGG ID English
    D09970
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    71200
    language of work or name
    English
    title
    tofacitinib (English)
    retrieved
    19 October 2016
    Guide to Pharmacology Ligand ID English
    5677
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    5677
    language of work or name
    English
    title
    tofacitinib (English)
    retrieved
    19 November 2016
    NDF-RT ID English
    N0000186059
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    87LA6FU830
    language of work or name
    English
    title
    tofacitinib (English)
    retrieved
    19 November 2016
    isomeric SMILES
    C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9926791
    language of work or name
    English
    title
    Tofacitinib (English)
    retrieved
    19 November 2016
    SMILES
    CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9926791
    language of work or name
    English
    title
    Tofacitinib (English)
    retrieved
    19 November 2016
    ECHA InfoCard ID
    100.215.928
    1 reference
    stated in
    Q59911453 (Deleted Item)
    ECHA InfoCard ID
    100.215.928
    retrieved
    27 December 2018
    title
    3-Piperidinamine, 1-(cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo(2,3-d)pyrimidin-4-yl-, (3R,4R)- (English)
    quotation
    CAS no.: 477600-75-2 (English)
    World Health Organisation international non-proprietary name English
    tofacitinib (English)
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    71200
    language of work or name
    English
    title
    tofacitinib (English)
    retrieved
    19 October 2016
    Reaxys registry number English
    11647225
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    71200
    language of work or name
    English
    title
    tofacitinib (English)
    retrieved
    19 October 2016
    mass
    312.17 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9926791
    language of work or name
    English
    title
    Tofacitinib (English)
    retrieved
    19 October 2016
    DrugBank ID English
    08895
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    08895
    language of work or name
    English
    title
    Tofacitinib (English)
    retrieved
    19 November 2016
    PDB structure ID English
    3LXK
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    3LXK
    language of work or name
    English
    title
    3LXK (English)
    retrieved
    19 October 2016
    4OTI
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    4OTI
    language of work or name
    English
    title
    4OTI (English)
    retrieved
    19 October 2016
    3FUP
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    3FUP
    language of work or name
    English
    title
    3FUP (English)
    retrieved
    19 October 2016
    3LXN
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    3LXN
    language of work or name
    English
    title
    3LXN (English)
    retrieved
    19 October 2016
    3EYG
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    3EYG
    language of work or name
    English
    title
    3EYG (English)
    retrieved
    19 October 2016
    RxNorm ID English
    1357536
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    87LA6FU830
    language of work or name
    English
    title
    tofacitinib (English)
    retrieved
    19 November 2016
    UMLS CUI English
    C2930696
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    87LA6FU830
    language of work or name
    English
    title
    tofacitinib (English)
    retrieved
    19 November 2016
    DSSTox substance ID English
    DTXSID90197271
    1 reference
    stated in
    Q28061352 (Deleted Item)
    pregnancy category English
    Q28123617 (Deleted Item)
    1 reference
    imported from Wikimedia project
    English Wikipedia
    defined daily dose English
    10 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=L04AA29
    active ingredient in English
    Q47522319 (Deleted Item)
    1 reference
    stated in
    RxNorm English
    RxNorm ID English
    1357542
    retrieved
    14 February 2018
    MeSH
    C479163
    named as
    tofacitinib
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C479163
    retrieved
    14 March 2018
    subject has role
    protein kinase inhibitors English
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C479163
    retrieved
    15 March 2018
    medical condition treated
    polyarthritis English
    1 reference
    stated in
    Q56863002 (Deleted Item)
    retrieved
    2 October 2018
    Q55781316 (Deleted Item)
    1 reference
    stated in
    Q56863002 (Deleted Item)
    retrieved
    2 October 2018
    Q170990 (Deleted Item)
    1 reference
    stated in
    Q56863002 (Deleted Item)
    retrieved
    2 October 2018
    ulcerative colitis
    1 reference
    stated in
    Q56863002 (Deleted Item)
    retrieved
    2 October 2018
    Alopecia areata
    1 reference
    stated in
    Q56863002 (Deleted Item)
    retrieved
    2 October 2018
    Q181391 (Deleted Item)
    1 reference
    stated in
    Q56863002 (Deleted Item)
    retrieved
    2 October 2018
    EC number
    689-145-4
    1 reference
    stated in
    Q59911453 (Deleted Item)
    ECHA InfoCard ID
    100.215.928
    retrieved
    27 December 2018
    title
    3-Piperidinamine, 1-(cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo(2,3-d)pyrimidin-4-yl-, (3R,4R)- (English)
    quotation
    CAS no.: 477600-75-2 (English)
    physically interacts with
    Janus kinase 3 English
    subject has role
    Q427492 (Deleted Item)
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    5677
    language of work or name
    English
    retrieved
    17 August 2016
    LiverTox ID English
    Tofacitinib
    0 references
    Microsoft Academic ID
    2778886723
    0 references
    DSSTOX compound identifier English
    DTXCID00119762
    0 references
    PDB ligand ID English
    MI1
    0 references
    Freebase ID
    /m/0gfhs9b
    0 references
    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/Tofacitinib
    last update English
    2 December 2020
    HSDB ID English
    8311
    1 reference
    stated in
    Hazardous Substances Data Bank
    HSDB ID English
    8311
    publication date
    28 October 2019
    title
    Tofacitinib (English)
    retrieved
    10 Mayıs 2021
    MedlinePlus drug identifier English
    a613025
    0 references
    Commons category
    Tofacitinib
    0 references
    P11199 (Deleted Property)
    PD004666 Property P11199 not found, cannot determine the data type to use.
    0 references
    P11143 (Deleted Property)
    Tofacitinib Property P11143 not found, cannot determine the data type to use.
    0 references
     
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