methiothepin (CHEBI:64203)

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CHEBI:64203 - methiothepin

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ChEBI ID	CHEBI:64203
ChEBI Name	methiothepin
Stars
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-HT_1D sub-types. Also displays affinity for rodent 5-HT_5B, 5-HT_5A, 5-HT₇ and 5-HT₆ receptors (pK1 values are 6.6, 7.0, 8.4 and 8.7 respectively).
Last Modified	26 October 2021
Submitter	Steve
Downloads	Molfile

Formula	C20H24N2S2
Net Charge	0
Average Mass	356.560
Monoisotopic Mass	356.13809
SMILES	CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2
InChI	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

Wikipedia

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
Applications:	serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. antipsychotic agent Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.

ChEBI Ontology

Outgoing Relation(s)
	methiothepin (CHEBI:64203) has role antipsychotic agent (CHEBI:35476)
	methiothepin (CHEBI:64203) has role dopaminergic antagonist (CHEBI:48561)
	methiothepin (CHEBI:64203) has role geroprotector (CHEBI:176497)
	methiothepin (CHEBI:64203) has role serotonergic antagonist (CHEBI:48279)
	methiothepin (CHEBI:64203) is a N-alkylpiperazine (CHEBI:46845)
	methiothepin (CHEBI:64203) is a aryl sulfide (CHEBI:35683)
	methiothepin (CHEBI:64203) is a dibenzothiepine (CHEBI:38924)
	methiothepin (CHEBI:64203) is a tertiary amino compound (CHEBI:50996)
	methiothepin (CHEBI:64203) is conjugate base of methiothepin(2+) (CHEBI:64204)
Incoming Relation(s)
Incoming Relation(s)	methiothepin(2+) (CHEBI:64204) is conjugate acid of methiothepin (CHEBI:64203)

IUPAC Name
1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine

INNs	Source
metitepina	ChemIDplus
metitepine	ChemIDplus
metitepinum	ChemIDplus

Synonyms	Source
(+-)-10-(4-Methylpiperazinyl)-8-(methylthio)-10,11-dihydrodibenzo(b,f)thiepin	ChemIDplus
(+-)-1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine	ChemIDplus
1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine	ChemIDplus
1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine	ChEBI
(+-)-8-Methylthio-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin	ChemIDplus
Methiothepine	ChemIDplus

Manual Xrefs	Databases
HMDB0254534	HMDB
LSM-4320	LINCS
Metitepine	Wikipedia
NL6608618	Patent
US3379729	Patent
US4444778	Patent
US6331536	Patent

Registry Numbers	Sources
Reaxys:626221	Reaxys
CAS:20229-30-5	ChemIDplus

Citations