Details of the Drug

General Information of Drug (ID: DM0JE6N)

Drug Name

Metixene

Synonyms

Atosil; Contalyl; Dalpan; METHIXENE; Methixart; Methixen; Methyloxan; Metisene; Metixeno; Metixenum; Raunana; Tremaril;Tremarit; Tremonil; Tremoquil; Trest; Methixen [German]; Methixene hydrochloride; Metisene [DCIT]; Metixene hydrochloride; Tremaril hydrochloride; Metixene (INN); Metixene (TN); Metixene [INN:BAN]; Metixeno [INN-Spanish]; Metixenum [INN-Latin]; Methixene (*hydrochloride*); Metixene (*hydrochloride*); Tremonil (*hydrochloride*); 1-Methyl-3-(9H-thioxanthen-9-yl-methyl)piperidine; 1-Methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine; 1-Methyl-3-(thioxanthen-9-ylmethyl) piperidine; 1-Methyl-3-(thioxanthen-9-ylmethyl)-1-piperidine; 1-methyl-3-(thioxanthen-9-ylmethyl)-piperidine hydrochloride; 60 SJ 1977; 60 SJ 1977 (*hydrochloride*); 9-(1'-Methylpiperidine-3'-methyl)thioxanthene

Indication

Disease Entry	ICD 11	Status	REF
Parkinson disease	8A00.0	Approved	[1]
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Therapeutic Class

Antiparkinson Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

309.5

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

ADMET Property

Metabolism: The drug is metabolized via the hepatic []

Chemical Identifiers

Formula: C20H23NS
IUPAC Name: 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
Canonical SMILES: CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24
InChI: InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
InChIKey: MJFJKKXQDNNUJF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4167
ChEBI ID: CHEBI:51024
CAS Number: 4969-02-2
DrugBank ID: DB00340
TTD ID: D0NF0W

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor M1 (CHRM1)	TTZ9SOR	ACM1_HUMAN	Modulator	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Potassium voltage-gated channel subfamily H member 2 (KCNH2)	OTZX881H	KCNH2_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Parkinson disease

ICD Disease Classification

8A00.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Muscarinic acetylcholine receptor M1 (CHRM1)	DTT	CHRM1	5.59E-01	0.19	0.41

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7232).
2	Roles of the M1 muscarinic acetylcholine receptor subtype in the regulation of basal ganglia function and implications for the treatment of Parkinson's disease.J Pharmacol Exp Ther.2012 Mar;340(3):595-603.
3	Why are most phospholipidosis inducers also hERG blockers?. Arch Toxicol. 2017 Dec;91(12):3885-3895. doi: 10.1007/s00204-017-1995-9. Epub 2017 May 27.