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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:(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride
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Accession:CHEBI:64078 term browser browse the term
Definition:A hydrochloride salt obtained by mixing equimolar amounts of (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol with hydrochloric acid. Potent and selective dopamine D1-like receptor agonist (pEC50 values are 8.97 and < 5 for D1-like and D2-like receptors respectively). Displays anti-Parkinsonian activity following oral administration in vivo.
Synonyms:exact_synonym: (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride
 related_synonym: 3-(1'-Adamantyl)-1-aminomethyl-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyran hydrochloride;   A 77636 hydrochloride;   A-77636;   A77636;   A77636 hydrochloride;   Formula=C20H28ClNO3;   InChI=1S/C20H27NO3.ClH/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20;/h1-2,11-13,17-18,22-23H,3-10,21H2;1H/t11?,12?,13?,17-,18-,20?;/m0./s1;   InChIKey=BWHPNJVKFAPVOG-QYFJGNGUSA-N;   SMILES=Cl.NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C12CC3CC(CC(C3)C1)C2;   [(1R,3S)-3-(adamantan-1-yl)-5,6-dihydroxy-3,4-dihydro-1H-isochromen-1-yl]methanaminium chloride
 xref: CAS:145307-34-2
 xref_mesh: MESH:C079415
 xref: Reaxys:5859104


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(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Drd1 dopamine receptor D1 multiple interactions
affects localization		 ISO A 77636 binds to and results in increased activity of DRD1 protein; SCH 23390 inhibits the reaction [A 77636 affects the localization of DRD1 protein]; SCH 23390 inhibits the reaction [A 77636 results in increased activity of DRD1 protein] CTD PMID:15985612 NCBI chr17:10,540,440...10,544,971
Ensembl chr17:10,540,558...10,545,002 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19869
      application 19713
        pharmaceutical 19548
          drug 19548
            antidyskinesia agent 1554
              antiparkinson drug 1182
                (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride 1
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Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    p-block element atom 19835
                      halogen 18703
                        chlorine atom 18489
                          chlorine molecular entity 18489
                            elemental chlorine 8796
                              monoatomic chlorine 8781
                                chloride 8781
                                  chloride salt 8781
                                    organic chloride salt 1107
                                      hydrochloride 738
                                        (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride 1
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