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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 chr17:11,099,736...11,104,352
Ensembl chr17:11,101,306...11,103,541
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  CHEBI ontology 19773
    role 19719
      application 19403
        pharmaceutical 19303
          drug 19303
            antidyskinesia agent 1145
              antiparkinson drug 860
                (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride 1
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  CHEBI ontology 19773
    subatomic particle 19772
      composite particle 19772
        hadron 19772
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            nucleon 19772
              atomic nucleus 19772
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                  main group element atom 19662
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                      halogen 18102
                        chlorine atom 17924
                          chlorine molecular entity 17924
                            elemental chlorine 8458
                              monoatomic chlorine 8442
                                chloride 8442
                                  chloride salt 8442
                                    organic chloride salt 898
                                      hydrochloride 682
                                        (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride 1
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