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ONTOLOGY REPORT - ANNOTATIONS


Term:metergoline
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Accession:CHEBI:64216 term browser browse the term
Definition:An ergoline alkaloid that is the N-benzyloxycarbonyl derivative of lysergamine. A 5-HT2 antagonist. Also 5-HT1 antagonist and 5-HT1D ligand. Has moderate affinity for 5-HT6 and high affinity for 5-HT7.
Synonyms:exact_synonym: benzyl {[(8alpha)-1,6-dimethylergolin-8-yl]methyl}carbamate
 related_synonym: (((8-beta)-1,6-Dimethylergolin-8-yl)methyl)carbamic acid benzyl ester;   (((8-beta)-1,6-Dimethylergolin-8-yl)methyl)carbamic acid phenylmethyl ester;   (+)-N-(Carboxy)-1-methyl-9,10-dihydrolysergamine benzyl ester;   1,6-Dimethyl-8-beta-carbobenzyloxaminomethyl-10-alpha-ergoline;   1-Methyl-8-beta-carbobenzyloxyaminomethyl-10-alpha-ergoline;   1-Methyl-N-carbobenzyloxydihydro-D-lysergamin;   D-8-beta-((Carbobenzoxyamino)methyl)-1,6-dimethyl-10-alpha-ergoline;   D-8-beta-((Carboxyamino)methyl)-1,6-dimethylergoline benzyl ester;   Formula=C25H29N3O2;   InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1;   InChIKey=WZHJKEUHNJHDLS-QTGUNEKASA-N;   Metergolin;   SMILES=[H][C@@]12Cc3cn(C)c4cccc(c34)[C@@]1([H])C[C@@H](CNC(=O)OCc1ccccc1)CN2C;   metergolina;   metergolinum
 xref: CAS:17692-51-2 "ChemIDplus";   CAS:17692-51-2 "KEGG DRUG";   CAS:17692-51-2 "NIST Chemistry WebBook";   Drug_Central:1723 "DrugCentral";   KEGG:D07218;   LINCS:LSM-3265
 xref_mesh: MESH:D008711
 xref: PMID:18996971 "Europe PMC";   PMID:19484723 "Europe PMC";   PMID:19509219 "Europe PMC";   PMID:19538518 "Europe PMC";   PMID:19539656 "Europe PMC";   PMID:19632276 "Europe PMC";   PMID:19945477 "Europe PMC";   PMID:20377624 "Europe PMC";   PMID:20451398 "Europe PMC";   PMID:20845263 "Europe PMC";   PMID:21354537 "Europe PMC";   PMID:21475142 "Europe PMC";   PMID:21600959 "Europe PMC";   PMID:21880033 "Europe PMC";   PMID:22218419 "Europe PMC";   Reaxys:5362415 "Reaxys";   Wikipedia:Metergoline


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metergoline term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Ddc dopa decarboxylase JBrowse link 14 91,905,919 91,996,816 RGD:6480464
G Htr1b 5-hydroxytryptamine receptor 1B JBrowse link 8 89,113,984 89,130,830 RGD:6480464
G Htr2a 5-hydroxytryptamine receptor 2A JBrowse link 15 56,666,152 56,732,469 RGD:6480464
G Htr7 5-hydroxytryptamine receptor 7 JBrowse link 1 254,547,964 254,671,811 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19728
    role 19675
      biological role 19673
        pharmacological role 18793
          neurotransmitter agent 16396
            serotonergic drug 3917
              serotonergic antagonist 2224
                metergoline 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19728
    subatomic particle 19724
      composite particle 19724
        hadron 19724
          baryon 19724
            nucleon 19724
              atomic nucleus 19724
                atom 19724
                  main group element atom 19610
                    p-block element atom 19610
                      carbon group element atom 19501
                        carbon atom 19494
                          organic molecular entity 19494
                            organic group 18413
                              organic divalent group 18404
                                organodiyl group 18404
                                  carbonyl group 18293
                                    carbonyl compound 18293
                                      carboxylic ester 13965
                                        carbamate ester 7333
                                          metergoline 4
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.