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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:methiothepin
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Accession:CHEBI:64203 term browser browse the term
Definition:A dibenzothiepine that is 10,11-dihydrodibenzo[b,f]thiepine bearing additional methylthio and 4-methylpiperazin-1-yl substituents at positions 8 and 10 respectively. Potent 5-HT2 antagonist, also active as 5-HT1 antagonist. Differentiates 5-HT1D sub-types. Also displays affinity for rodent 5-HT5B, 5-HT5A, 5-HT7 and 5-HT6 receptors (pK1 values are 6.6, 7.0, 8.4 and 8.7 respectively).
Synonyms:exact_synonym: 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine
 related_synonym: (+-)-10-(4-Methylpiperazinyl)-8-(methylthio)-10,11-dihydrodibenzo(b,f)thiepin;   (+-)-8-Methylthio-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin;   1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine;   1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine;   Formula=C20H24N2S2;   InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3;   InChIKey=RLJFTICUTYVZDG-UHFFFAOYSA-N;   Methiothepine;   SMILES=CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1;   metitepina;   metitepine;   metitepinum
 xref: CAS:20229-30-5;   LINCS:LSM-4320
 xref_mesh: MESH:D008719
 xref: PMID:18996971;   PMID:19837141;   PMID:19995401;   PMID:20171242;   PMID:20233210;   PMID:20331882;   PMID:20547148;   PMID:21062995;   PMID:21403818;   PMID:21514998;   PMID:21964383;   Patent:NL6608618;   Patent:US3379729;   Patent:US4444778;   Patent:US6331536;   Reaxys:626221;   Wikipedia:Metitepine
 cyclic_relationship: is_conjugate_base_of CHEBI:64204


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methiothepin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Adra1a adrenoceptor alpha 1A multiple interactions EXP Methiothepin binds to and results in decreased activity of ADRA1A protein CTD PMID:16545797 NCBI chr15:43,296,997...43,398,314
Ensembl chr15:43,298,794...43,392,451
JBrowse link
G Htr1a 5-hydroxytryptamine receptor 1A multiple interactions ISO
EXP
Methiothepin binds to and results in decreased activity of HTR1A protein CTD PMID:2207497, PMID:15482641 NCBI chr 2:36,246,628...36,247,896
Ensembl chr 2:36,246,628...36,247,896
JBrowse link
G Htr1b 5-hydroxytryptamine receptor 1B affects binding EXP Methiothepin binds to HTR1B protein CTD PMID:11888550 NCBI chr 8:89,113,984...89,130,830
Ensembl chr 8:89,129,453...89,130,991
JBrowse link
G Htr2a 5-hydroxytryptamine receptor 2A multiple interactions ISO [Methiothepin binds to and results in decreased activity of HTR2A protein] which results in decreased susceptibility to Cocaine CTD PMID:10764922 NCBI chr15:56,666,152...56,732,469
Ensembl chr15:56,666,012...56,735,382
JBrowse link
G Htr7 5-hydroxytryptamine receptor 7 multiple interactions ISO [Methiothepin binds to and results in decreased activity of HTR7 protein] inhibits the reaction [Colforsin results in increased abundance of Cyclic AMP]; [Methiothepin binds to and results in decreased activity of HTR7 protein] which results in decreased abundance of Cyclic AMP; Methiothepin binds to and results in decreased activity of HTR7 protein CTD PMID:14578406, PMID:18996971, PMID:19509219 NCBI chr 1:254,547,964...254,671,811
Ensembl chr 1:254,547,620...254,671,778
JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO Methiothepin 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

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  CHEBI ontology 19785
    role 19732
      biological role 19732
        pharmacological role 18793
          neurotransmitter agent 16423
            serotonergic drug 3956
              serotonergic antagonist 2268
                methiothepin 6
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  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    main group molecular entity 19670
                      s-block molecular entity 19428
                        hydrogen molecular entity 19418
                          hydrides 18685
                            inorganic hydride 17409
                              pnictogen hydride 17381
                                nitrogen hydride 17223
                                  azane 16940
                                    ammonia 16939
                                      organic amino compound 16938
                                        tertiary amino compound 8629
                                          N-alkylpiperazine 3075
                                            methiothepin 6
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