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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 19679
    role 19623
      biological role 19621
        pharmacological role 18695
          neurotransmitter agent 16235
            serotonergic drug 3851
              serotonergic antagonist 2224
                metergoline 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19679
    subatomic particle 19675
      composite particle 19675
        hadron 19675
          baryon 19675
            nucleon 19675
              atomic nucleus 19675
                atom 19675
                  main group element atom 19555
                    p-block element atom 19555
                      carbon group element atom 19438
                        carbon atom 19430
                          organic molecular entity 19430
                            organic group 18351
                              organic divalent group 18340
                                organodiyl group 18340
                                  carbonyl group 18225
                                    carbonyl compound 18225
                                      carboxylic ester 13956
                                        carbamate ester 7334
                                          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.