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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 chr16:5,769,217...5,799,380
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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Term Annotations click to browse term
  CHEBI ontology 19880
    role 19850
      biological role 19848
        pharmacological role 19080
          analgesic 14774
            U50488 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      carbon group element atom 19757
                        carbon atom 19754
                          organic molecular entity 19754
                            heteroorganic entity 19512
                              organochalcogen compound 19275
                                organooxygen compound 19191
                                  carbon oxoacid 18658
                                    carboxylic acid 18655
                                      carboacyl group 17699
                                        univalent carboacyl group 17699
                                          carbamoyl group 17550
                                            carboxamide 17550
                                              monocarboxylic acid amide 15732
                                                U50488 4
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