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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 4:22,339,829...22,517,642
Ensembl chr 4:22,133,521...22,425,515
JBrowse link
G Drd1 dopamine receptor D1 affects binding ISO Flupenthixol binds to DRD1 protein CTD PMID:1352677 NCBI chr17:11,099,736...11,104,352
Ensembl chr17:11,101,306...11,103,541
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 4:7,355,066...7,387,282
Ensembl chr 4:7,355,574...7,387,253
JBrowse link
G Ptgs1 prostaglandin-endoperoxide synthase 1 decreases expression ISO Flupenthixol results in decreased expression of PTGS1 protein CTD PMID:8897462 NCBI chr 3:15,560,685...15,582,339
Ensembl chr 3:15,560,712...15,582,344
JBrowse link
G Ptgs2 prostaglandin-endoperoxide synthase 2 decreases expression ISO Flupenthixol results in decreased expression of PTGS2 protein CTD PMID:8897462 NCBI chr13:67,351,230...67,356,920
Ensembl chr13:67,351,087...67,359,335
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    chemical entity 19787
      atom 19784
        nonmetal atom 19659
          halogen 18011
            fluorine atom 11416
              fluorine molecular entity 11416
                flupenthixol 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    main group molecular entity 19672
                      s-block molecular entity 19430
                        hydrogen molecular entity 19420
                          hydrides 18686
                            inorganic hydride 17411
                              pnictogen hydride 17383
                                nitrogen hydride 17224
                                  azane 16941
                                    ammonia 16940
                                      organic amino compound 16939
                                        tertiary amino compound 8630
                                          N-alkylpiperazine 3075
                                            flupenthixol 5
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