Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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
go back to main search page
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


show annotations for term's descendants           Sort by:
 
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 chr18:57,637,013...57,820,317
Ensembl chr18:57,654,290...57,819,698
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19761
    role 19711
      biological role 19711
        pharmacological role 18825
          neurotransmitter agent 16444
            serotonergic drug 3978
              serotonergic antagonist 2285
                RS 39604 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      chalcogen 19382
                        oxygen atom 19345
                          oxygen molecular entity 19345
                            hydroxides 19071
                              oxoacid 18269
                                chalcogen oxoacid 11494
                                  sulfur oxoacid 11100
                                    sulfonic acid 7358
                                      sulfonic acid derivative 7358
                                        sulfonamide 3190
                                          RS 39604 1
paths to the root