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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 19781
    role 19726
      application 19412
        pharmaceutical 19312
          drug 19312
            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 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    p-block element atom 19669
                      halogen 18103
                        chlorine atom 17921
                          chlorine molecular entity 17921
                            elemental chlorine 8455
                              monoatomic chlorine 8439
                                chloride 8439
                                  chloride salt 8439
                                    organic chloride salt 898
                                      hydrochloride 683
                                        (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride 1
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