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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:U50488
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Accession:CHEBI:73358 term browser browse the term
Definition:A monocarboxylic acid amide obtained by formal condensation between the carboxy group of 3,4-dichlorophenylacetic acid and the secondary amino group of (1R,2R)-N-methyl-2-(pyrrolidin-1-yl)cyclohexanamine
Synonyms:exact_synonym: 2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-(pyrrolidin-1-yl)cyclohexyl]acetamide
 related_synonym: Formula=C19H26Cl2N2O;   InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1;   InChIKey=VQLPLYSROCPWFF-QZTJIDSGSA-N;   SMILES=CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1;   U 50,488;   U 50488;   U50,488;   trans-3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]-benzeneacetamide
 xref: CAS:67198-13-4;   KEGG:C11796
 xref_mesh: MESH:D019900
 xref: PMID:18929596;   PMID:1957656;   PMID:21834094;   PMID:21836460;   PMID:21962331;   PMID:22316281;   PMID:23222359;   PMID:235975627;   Patent:NZ535654;   Patent:WO2008066916;   Reaxys:4845074;   Wikipedia:U-50488



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U50488 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Grpr gastrin releasing peptide receptor increases phosphorylation
multiple interactions
ISO 3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer results in increased phosphorylation of GRPR protein
bisindolylmaleimide inhibits the reaction [3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer results in increased phosphorylation of GRPR protein]
CTD PMID:29669290 NCBI chr  X:30,998,425...31,038,442
Ensembl chr  X:30,998,416...31,038,442
JBrowse link
G Oprk1 opioid receptor, kappa 1 multiple interactions
affects response to substance
increases activity
ISO 3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer binds to and results in increased activity of OPRK1 protein; [3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer binds to and results in increased activity of OPRK1 protein] which results in increased phosphorylation of STAT3 protein
3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer binds to and results in increased activity of OPRK1 protein; 7-hydroxymitragynine inhibits the reaction [3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer binds to and results in increased activity of OPRK1 protein]; mitragynine inhibits the reaction [3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer binds to and results in increased activity of OPRK1 protein]
OPRK1 protein affects the susceptibility to 3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer
3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer results in increased activity of OPRK1 protein
CTD PMID:18385270 PMID:27192616 PMID:27231154 PMID:29669290 NCBI chr 5:13,860,016...13,877,823
Ensembl chr 5:13,860,021...13,877,823
JBrowse link
G Prkcd protein kinase C, delta multiple interactions
affects localization
ISO 1-(6-((3-methoxyestra-1,3,5(10)-trien-17-yl)amino)hexyl)-1H-pyrrole-2,5-dione inhibits the reaction [3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer affects the localization of PRKCD protein] CTD PMID:29669290 NCBI chr16:5,769,226...5,807,214
Ensembl chr16:5,769,215...5,799,352
JBrowse link
G Stat3 signal transducer and activator of transcription 3 multiple interactions ISO [3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer binds to and results in increased activity of OPRK1 protein] which results in increased phosphorylation of STAT3 protein CTD PMID:18385270 NCBI chr10:85,811,206...85,863,057
Ensembl chr10:85,811,218...85,863,057
JBrowse link

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  CHEBI ontology 19800
    role 19751
      biological role 19751
        pharmacological role 18837
          analgesic 13308
            U50488 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic group 18718
                              organic divalent group 18702
                                organodiyl group 18702
                                  carbonyl group 18651
                                    carbonyl compound 18651
                                      carboxylic acid 18346
                                        carboacyl group 17469
                                          univalent carboacyl group 17469
                                            carbamoyl group 17285
                                              carboxamide 17285
                                                monocarboxylic acid amide 15010
                                                  U50488 4
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