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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
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  CHEBI ontology 20089
    role 20042
      biological role 20011
        pharmacological role 19090
          neurotransmitter agent 16521
            serotonergic drug 4255
              serotonergic antagonist 2646
                RS 39604 1
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  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      chalcogen 19732
                        oxygen atom 19674
                          oxygen molecular entity 19674
                            hydroxides 19454
                              oxoacid 18744
                                chalcogen oxoacid 11682
                                  sulfur oxoacid 11294
                                    sulfonic acid 7653
                                      sulfonic acid derivative 7653
                                        sulfonamide 3204
                                          RS 39604 1
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