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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:RS 39604
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Accession:CHEBI:64083 term browser browse the term
Definition:An aromatic ether that is the 3,5-dimethoxybenzyl derivative of N-(2-{4-[3-(4-amino-5-chloro-2-hydroxyphenyl)-3-oxopropyl]piperidin-1-yl}ethyl)methanesulfonamide. A potent and selective 5-HT4 antagonist, with a pKi of 9.1 at 5-HT4 receptors in guinea pig striatal membranes and greater than 1000-fold selectivity over 5-HT1A, 2C, 3 and D1, D2, M1, M2, AT1, B1 and alpha1C receptors. The ketone group gives RS 39604 a relatively long half life; it is also orally active and so suitable for in vivo studies.
Synonyms:related_synonym: Formula=C26H36ClN3O6S;   InChI=1S/C26H36ClN3O6S/c1-34-20-12-19(13-21(14-20)35-2)17-36-26-16-24(28)23(27)15-22(26)25(31)5-4-18-6-9-30(10-7-18)11-8-29-37(3,32)33/h12-16,18,29H,4-11,17,28H2,1-3H3;   InChIKey=BKVIWGRFRKLFIO-UHFFFAOYSA-N;   RS-67506;   RS67506;   SMILES=COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1
 xref: LINCS:LSM-2461
 xref_mesh: MESH:C475107
 xref: PMID:11739263;   PMID:12095647;   PMID:15272208;   PMID:21689105;   PMID:7582507;   PMID:8903510;   PMID:9243330;   PMID:9689461;   Reaxys:8524141


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RS 39604 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Htr4 5-hydroxytryptamine receptor 4 multiple interactions ISO RS 39604 binds to and results in decreased activity of HTR4 protein CTD PMID:15146954 NCBI chr18:55,765,981...55,949,921
Ensembl chr18:55,766,725...55,949,321 		JBrowse link
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  CHEBI ontology 19808
    role 19784
      biological role 19782
        pharmacological role 19026
          neurotransmitter agent 16722
            serotonergic drug 4330
              serotonergic antagonist 2681
                RS 39604 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      chalcogen 19513
                        oxygen atom 19488
                          oxygen molecular entity 19488
                            hydroxides 19299
                              oxoacid 18736
                                chalcogen oxoacid 13754
                                  sulfur oxoacid 13542
                                    sulfonic acid 11577
                                      sulfonic acid derivative 11577
                                        sulfonamide 5287
                                          RS 39604 1
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