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afatinib (Q4688818)

Item Discussion
chemical compound
edit
Language Label Description Also known as
British English
afatinib
chemical compound

    Statements

    CAS registry number
    850140-72-6
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    41UD74L59M
    language of work or name
    English
    title
    afatinib (English)
    retrieved
    19 November 2016
    InChIKey
    ULXXDDBFHOBEHA-CWDCEQMOSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    9 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=850140-72-6
    PubChem CID
    10184653
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10184653
    language of work or name
    English
    title
    Afatinib (English)
    retrieved
    19 November 2016
    ChEBI ID
    61390
    mapping relation type English
    exact match English
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL1173655
    language of work or name
    English
    title
    AFATINIB (English)
    retrieved
    19 November 2016
    ChEMBL ID
    CHEMBL1173655
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL1173655
    language of work or name
    English
    title
    AFATINIB (English)
    retrieved
    19 November 2016
    chemical formula
    C₂₄H₂₅ClFN₅O₃
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10184653
    language of work or name
    English
    title
    Afatinib (English)
    retrieved
    19 November 2016
    InChI
    InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10184653
    language of work or name
    English
    title
    Afatinib (English)
    retrieved
    19 November 2016
    InChIKey
    ULXXDDBFHOBEHA-CWDCEQMOSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10184653
    language of work or name
    English
    title
    Afatinib (English)
    retrieved
    19 November 2016
    stated in
    Q98915402 (Deleted Item)
    ChemSpider ID
    8360155
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    8360155
    language of work or name
    English
    title
    Afatinib (English)
    retrieved
    19 October 2016
    DrugBank ID English
    08916
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    08916
    language of work or name
    English
    title
    Afatinib (English)
    retrieved
    19 November 2016
    UNII English
    41UD74L59M
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    41UD74L59M
    language of work or name
    English
    title
    afatinib (English)
    retrieved
    19 November 2016
    ATC code English
    L01XE13
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    08916
    language of work or name
    English
    title
    Afatinib (English)
    publication date
    17 November 2015
    KEGG ID English
    D09724
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    61390
    language of work or name
    English
    title
    afatinib (English)
    retrieved
    19 October 2016
    Guide to Pharmacology Ligand ID English
    5667
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    5667
    language of work or name
    English
    title
    afatinib (English)
    retrieved
    19 November 2016
    NDF-RT ID English
    N0000188388
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    41UD74L59M
    language of work or name
    English
    title
    afatinib (English)
    retrieved
    19 November 2016
    isomeric SMILES
    CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10184653
    language of work or name
    English
    title
    Afatinib (English)
    retrieved
    19 November 2016
    SMILES
    CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10184653
    language of work or name
    English
    title
    Afatinib (English)
    retrieved
    19 November 2016
    ECHA InfoCard ID
    100.239.035
    1 reference
    stated in
    Q59911453 (Deleted Item)
    ECHA InfoCard ID
    100.239.035
    retrieved
    27 December 2018
    title
    Afatinib (English)
    quotation
    CAS no.: 850140-72-6 (English)
    Reaxys registry number English
    11746023
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    61390
    language of work or name
    English
    title
    afatinib (English)
    retrieved
    19 October 2016
    World Health Organisation international non-proprietary name English
    afatinib (English)
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    61390
    language of work or name
    English
    title
    afatinib (English)
    retrieved
    19 October 2016
    mass
    485.163 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    10184653
    language of work or name
    English
    title
    Afatinib (English)
    retrieved
    19 October 2016
    PDB structure ID English
    4G5J
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    4G5J
    language of work or name
    English
    title
    4G5J (English)
    retrieved
    19 October 2016
    RxNorm ID English
    1430438
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    41UD74L59M
    language of work or name
    English
    title
    afatinib (English)
    retrieved
    19 November 2016
    UMLS CUI English
    C2987648
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    41UD74L59M
    language of work or name
    English
    title
    afatinib (English)
    retrieved
    19 November 2016
    active ingredient in English
    Q47521650 (Deleted Item)
    1 reference
    stated in
    RxNorm English
    RxNorm ID English
    1430268
    retrieved
    14 February 2018
    Commons category
    Afatinib
    0 references
    subject has role
    protein kinase inhibitors English
    1 reference
    stated in
    Q21008030 (Deleted Item)
    NDF-RT ID English
    N0000188388
    retrieved
    5 March 2018
    radiosensitizer English
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C522924
    retrieved
    15 March 2018
    MeSH
    D000077716
    named as
    Afatinib
    0 references
    medical condition treated
    non-small-cell lung carcinoma English
    1 reference
    stated in
    Q56863002 (Deleted Item)
    retrieved
    2 October 2018
    EC number
    810-720-4
    1 reference
    stated in
    Q59911453 (Deleted Item)
    ECHA InfoCard ID
    100.239.035
    retrieved
    27 December 2018
    title
    Afatinib (English)
    quotation
    CAS no.: 850140-72-6 (English)
    physically interacts with
    Q424401 (Deleted Item)
    subject has role
    Q427492 (Deleted Item)
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    5667
    language of work or name
    English
    retrieved
    17 August 2016
    Q415271 (Deleted Item)
    subject has role
    Q427492 (Deleted Item)
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    5667
    language of work or name
    English
    retrieved
    17 August 2016
    DSSTox substance ID English
    DTXSID20893451
    0 references
    LiverTox ID English
    Afatinib
    0 references
    Microsoft Academic ID
    2780586478
    0 references
    DSSTOX compound identifier English
    DTXCID301323466
    0 references
    PDB ligand ID English
    0WM
    0 references
    Freebase ID
    /m/04jdmk3
    0 references
    DeCS ID
    57729
    0 references
    LiverTox likelihood score English
    Q83284515 (Deleted Item)
    1 reference
    stated in
    Q78239405 (Deleted Item)
    retrieved
    8 April 2021
    reference URL
    https://www.ncbi.nlm.nih.gov/books/n/livertox/Afatinib
    last update English
    1 June 2017
    OpenAlex ID
    C2780586478
    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
    a613044
    0 references
    MeSH Code
    D02.065.132
    0 references
    D03.633.100.786.188
    0 references
    P11199 (Deleted Property)
    PD003373 Property P11199 not found, cannot determine the data type to use.
    0 references
    P11143 (Deleted Property)
    Afatinib Property P11143 not found, cannot determine the data type to use.
    0 references
     
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