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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:related_synonym: (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride;   3-(1'-Adamantyl)-1-aminomethyl-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyran hydrochloride;   A 77636 hydrochloride;   A-77636;   A77636;   A77636 hydrochloride;   [(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
 chemrof_inchikey: BWHPNJVKFAPVOG-QYFJGNGUSA-N
 chemrof_formula: C20H27NO3.HCl
 chemrof_smiles: Cl.NC[C@@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O
 chemrof_inchi: 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


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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 chr17:10,545,488...10,550,029
Ensembl chr17:10,545,111...10,567,166 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      biological role 20831
        pharmacological role 19772
          neurotransmitter agent 16568
            dopaminergic agent 4730
              dopamine agonist 184
                (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      halogen 19174
                        chlorine atom 18936
                          chlorine molecular entity 18936
                            elemental chlorine 10248
                              monoatomic chlorine 10235
                                chloride 10235
                                  chloride salt 10235
                                    organic chloride salt 1119
                                      hydrochloride 749
                                        (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride 1
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