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neratinib English (Q6995920)

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
    698387-09-6
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    JJH94R3PWB
    retrieved
    14 February 2018
    InChIKey
    JWNPDZNEKVCWMY-VQHVLOKHSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    10 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=698387-09-6
    PubChem CID
    9915743
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9915743
    language of work or name
    English
    title
    698387-09-6 (English)
    retrieved
    3 October 2016
    ChEMBL ID
    CHEMBL180022
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL180022
    language of work or name
    English
    title
    NERATINIB (English)
    retrieved
    3 October 2016
    chemical formula
    C₃₀H₂₉ClN₆O₃
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9915743
    language of work or name
    English
    title
    698387-09-6 (English)
    retrieved
    3 October 2016
    InChI
    InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9915743
    language of work or name
    English
    title
    698387-09-6 (English)
    retrieved
    3 October 2016
    InChIKey
    JWNPDZNEKVCWMY-VQHVLOKHSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9915743
    language of work or name
    English
    title
    698387-09-6 (English)
    retrieved
    3 October 2016
    stated in
    Unique Ingredient Identifier English
    UNII English
    JJH94R3PWB
    retrieved
    14 February 2018
    ChemSpider ID
    8091392
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    8091392
    language of work or name
    English
    title
    neratinib (English)
    retrieved
    3 October 2016
    UNII English
    JJH94R3PWB
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    JJH94R3PWB
    retrieved
    14 February 2018
    Guide to Pharmacology Ligand ID English
    5686
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    5686
    language of work or name
    English
    title
    neratinib (English)
    retrieved
    3 October 2016
    SMILES
    CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9915743
    language of work or name
    English
    title
    698387-09-6 (English)
    retrieved
    3 October 2016
    mass
    556.198966 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9915743
    language of work or name
    English
    title
    698387-09-6 (English)
    retrieved
    3 October 2016
    DSSTox substance ID English
    DTXSID70220132
    1 reference
    stated in
    Q28061352 (Deleted Item)
    BabelNet ID
    01320706n
    1 reference
    stated in
    BabelNet
    isomeric SMILES
    CCOC1=CC2=C(C=C1NC(=O)\C=C\CN(C)C)C(NC3=CC(Cl)=C(OCC4=CC=CC=N4)C=C3)=C(C=N2)C#N
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    JJH94R3PWB
    retrieved
    14 February 2018
    RxNorm ID English
    1940643
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    JJH94R3PWB
    retrieved
    14 February 2018
    NCI Thesaurus ID English
    C49094
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    JJH94R3PWB
    retrieved
    14 February 2018
    active ingredient in English
    Q47521888 (Deleted Item)
    1 reference
    stated in
    RxNorm English
    RxNorm ID English
    1940649
    retrieved
    14 February 2018
    NDF-RT ID English
    N0000193550
    1 reference
    stated in
    Q21008030 (Deleted Item)
    NDF-RT ID English
    N0000193550
    retrieved
    26 February 2018
    subject has role
    Q50348938 (Deleted Item)
    1 reference
    stated in
    Q21008030 (Deleted Item)
    NDF-RT ID English
    N0000193550
    retrieved
    5 March 2018
    ChEBI ID
    61397
    mapping relation type English
    exact match English
    1 reference
    stated in
    Q105965742 (Deleted Item)
    DrugBank ID English
    11828
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    11828
    language of work or name
    English
    title
    Neratinib (English)
    publication date
    3 July 2018
    ECHA InfoCard ID
    100.241.512
    1 reference
    stated in
    Q59911453 (Deleted Item)
    ECHA InfoCard ID
    100.241.512
    retrieved
    20 December 2018
    title
    (2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide (English)
    quotation
    CAS no.: 698387-09-6 (English)
    EC number
    811-237-1
    1 reference
    stated in
    Q59911453 (Deleted Item)
    ECHA InfoCard ID
    100.241.512
    retrieved
    27 December 2018
    title
    (2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide (English)
    quotation
    CAS no.: 698387-09-6 (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
    5686
    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
    5686
    language of work or name
    English
    retrieved
    17 August 2016
    LiverTox ID English
    Neratinib
    0 references
    ATC code English
    L01XE45
    0 references
    Microsoft Academic ID
    2779413316
    0 references
    DSSTOX compound identifier English
    DTXCID70142623
    0 references
    Freebase ID
    /m/04zwl3b
    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/Neratinib
    last update English
    20 October 2018
    MedlinePlus drug identifier English
    a617034
    0 references
    Commons category
    Neratinib
    0 references
    P11199 (Deleted Property)
    PD003298 Property P11199 not found, cannot determine the data type to use.
    0 references
    P11143 (Deleted Property)
    Neratinib Property P11143 not found, cannot determine the data type to use.
    0 references
     
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