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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:flupenthixol
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Accession:CHEBI:5121 term browser browse the term
Definition:A thioxanthene derivative having a trifluoromethyl substituent at the 2-position and a 3-(4-(2-hydroxyethyl)piperazin-1-yl)propylidene group at the 10-position with undefined double bond stereochemistry.
Synonyms:exact_synonym: 2-(4-{3-[2-(trifluoromethyl)-4a,9a-dihydro-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethanol
 related_synonym: 2-Trifluoromethyl-9-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propylidene)thioxanthene;   2-Trifluoromethyl-9-(3-(4-(beta-hydroxyethyl)-1-piperazinyl)propylidene)thioxanthene;   4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-1-piperazineethanol;   4-(3-(2-(Trifluoromethyl)thioxanthen-9-ylidene)propyl)-1-piperazineethanol;   Formula=C23H27F3N2OS;   InChI=1S/C23H27F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,20,22,29H,3,9-15H2;   InChIKey=DTTVNHWDONBIKE-UHFFFAOYSA-N;   SMILES=[H]C(CCN1CCN(CCO)CC1)=C1C2C=C(C=CC2Sc2ccccc12)C(F)(F)F;   flupentixol;   flupentixolum
 xref: CAS:2709-56-0;   DrugBank:DB00875;   KEGG:D01044
 xref_mesh: MESH:D005475
 xref: PMID:1650428;   PMID:20825390;   PMID:26945819;   PMID:8826544;   PMID:9682999;   Patent:GB925538;   Patent:US3282930;   Patent:US3681346;   Wikipedia:Flupentixol


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flupenthixol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb1a ATP binding cassette subfamily B member 1A multiple interactions
decreases activity		 ISO Flupenthixol analog inhibits the reaction [ABCB1 protein results in decreased susceptibility to Doxorubicin]; Flupenthixol analog inhibits the reaction [ABCB1 protein results in decreased susceptibility to Vincristine]
Flupenthixol analog results in decreased activity of ABCB1 protein; Flupenthixol analog results in decreased activity of ABCB1 protein mutant form		 CTD PMID:7905786 PMID:12711602 NCBI chr 4:25,357,467...25,529,941
Ensembl chr 4:25,158,362...25,442,709 		JBrowse link
G Drd1 dopamine receptor D1 affects binding ISO Flupenthixol binds to DRD1 protein CTD PMID:1352677 NCBI chr17:10,540,440...10,544,971
Ensembl chr17:10,540,558...10,545,002 		JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO Flupenthixol results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 4:10,826,834...10,859,009
Ensembl chr 4:10,826,928...10,859,008 		JBrowse link
G Ptgs1 prostaglandin-endoperoxide synthase 1 decreases expression ISO Flupenthixol results in decreased expression of PTGS1 protein CTD PMID:8897462 NCBI chr 3:19,584,015...19,605,589
Ensembl chr 3:19,584,015...19,605,586 		JBrowse link
G Ptgs2 prostaglandin-endoperoxide synthase 2 decreases expression ISO Flupenthixol results in decreased expression of PTGS2 protein CTD PMID:8897462 NCBI chr13:62,163,936...62,172,193
Ensembl chr13:62,163,932...62,172,188 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    role 19784
      biological role 19782
        pharmacological role 19026
          antagonist 17216
            dopaminergic antagonist 1635
              flupenthixol 5
                cis-flupenthixol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    main group molecular entity 19756
                      s-block molecular entity 19595
                        hydrogen molecular entity 19582
                          hydrides 19095
                            inorganic hydride 18093
                              pnictogen hydride 18082
                                nitrogen hydride 17989
                                  azane 17798
                                    ammonia 17797
                                      organic amino compound 17797
                                        tertiary amino compound 10131
                                          N-alkylpiperazine 3392
                                            flupenthixol 5
                                              cis-flupenthixol 0
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