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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 chr13:62,164,080...62,169,770
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 19821
    chemical entity 19821
      atom 19819
        nonmetal atom 19707
          halogen 18171
            fluorine atom 11590
              fluorine molecular entity 11590
                flupenthixol 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    main group molecular entity 19716
                      s-block molecular entity 19502
                        hydrogen molecular entity 19498
                          hydrides 18852
                            inorganic hydride 17691
                              pnictogen hydride 17672
                                nitrogen hydride 17545
                                  azane 17279
                                    ammonia 17278
                                      organic amino compound 17278
                                        tertiary amino compound 8679
                                          N-alkylpiperazine 3104
                                            flupenthixol 5
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