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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:methysergide
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Accession:CHEBI:584020 term browser browse the term
Definition:A synthetic ergot alkaloid, structurally related to the oxytocic agent methylergonovine and to the potent hallucinogen LSD and used prophylactically to reduce the frequency and intensity of severe vascular headaches.
Synonyms:exact_synonym: (8R)-N-[1-hydroxymethyl(propyl)]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide
 related_synonym: (+)-9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethylergoline-8beta-carboxamide;   (+)-N-(1-(Hydroxymethyl)propyl)-1-methyl-D-lysergamide;   1-Methyl-D-lysergic acid butanolamide;   1-Methyl-dextro-lysergic acid (+)-1-hydroxy-2-butylamide;   1-Methyllysergic acid butanolamide;   1-Methylmethylergonovine;   9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethylergoline-8-carboxamide;   Formula=C21H27N3O2;   InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15?,19-/m1/s1;   InChIKey=KPJZHOPZRAFDTN-NQUBZZJWSA-N;   N-(1-(Hydroxymethyl)propyl)-1-methyl-dextro-(+)-lysergamide;   SMILES=[H][C@@]12Cc3cn(C)c4cccc(C1=C[C@H](CN2C)C(=O)NC(CC)CO)c34;   methysergidum;   metisergida
 alt_id: CHEBI:6893
 xref: Beilstein:765986;   CAS:361-37-5;   DrugBank:DB00247;   KEGG:C07199;   KEGG:D02357
 xref_mesh: MESH:D008784
 xref: Patent:GB854569;   Patent:US3113133


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methysergide term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb4 ATP binding cassette subfamily B member 4 decreases activity ISO Methysergide results in decreased activity of ABCB4 protein CTD PMID:28437613 NCBI chr 4:22,133,984...22,192,687
Ensembl chr 4:22,133,521...22,425,515
JBrowse link
G Adra1a adrenoceptor alpha 1A multiple interactions EXP Methysergide promotes the reaction [Phenylephrine binds to and results in increased activity of ADRA1A protein] CTD PMID:16545797 NCBI chr15:43,296,997...43,398,314
Ensembl chr15:43,298,794...43,392,451
JBrowse link
G Calca calcitonin-related polypeptide alpha affects activity EXP Methysergide affects the activity of CALCA protein CTD PMID:10075105 NCBI chr 1:184,184,018...184,188,922
Ensembl chr 1:184,184,020...184,188,911
JBrowse link
G Htr1b 5-hydroxytryptamine receptor 1B affects binding EXP Methysergide binds to HTR1B protein CTD PMID:11888550 NCBI chr 8:89,113,984...89,130,830
Ensembl chr 8:89,129,453...89,130,991
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19840
    role 19790
      biological role 19790
        pharmacological role 18841
          neurotransmitter agent 16444
            serotonergic drug 3968
              serotonergic antagonist 2277
                methysergide 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19840
    subatomic particle 19838
      composite particle 19838
        hadron 19838
          baryon 19838
            nucleon 19838
              atomic nucleus 19838
                atom 19838
                  main group element atom 19730
                    p-block element atom 19730
                      carbon group element atom 19635
                        carbon atom 19624
                          organic molecular entity 19624
                            organic group 18537
                              organic divalent group 18528
                                organodiyl group 18528
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      carboxylic acid 18113
                                        carboacyl group 17377
                                          univalent carboacyl group 17377
                                            carbamoyl group 17163
                                              carboxamide 17163
                                                monocarboxylic acid amide 14583
                                                  methysergide 4
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