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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 19899
    role 19869
      biological role 19867
        pharmacological role 19101
          neurotransmitter agent 16813
            serotonergic drug 4344
              serotonergic antagonist 2691
                RS 39604 1
Path 2
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  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
                      chalcogen 19586
                        oxygen atom 19558
                          oxygen molecular entity 19558
                            hydroxides 19366
                              oxoacid 18804
                                chalcogen oxoacid 13804
                                  sulfur oxoacid 13592
                                    sulfonic acid 11640
                                      sulfonic acid derivative 11640
                                        sulfonamide 5322
                                          RS 39604 1
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