Details of the Drug

General Information of Drug (ID: DMN6CAG)

Drug Name

Tiapride

Synonyms

tiapride; 51012-32-9; Thiapride; Tiapridal; N-(2-(Diethylamino)ethyl)-2-methoxy-5-(methylsulfonyl)benzamide; Tiapridum [INN-Latin]; Tiaprida [INN-Spanish]; UNII-LAH70H9JPH; FLO 1347; Tiapride [INN:BAN:DCF]; Tiapride HCl; EINECS 256-907-9; LAH70H9JPH; BRN 2390588; JTVPZMFULRWINT-UHFFFAOYSA-N; BENZAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-2-METHOXY-5-(METHYLSULFONYL)-; N-(2-(Diethylamino)ethyl)-5-(methylsulfonyl)-o-anisamide; Tiapridum; Tiaprida; Benzamide, N-[2-(diethylamino)ethyl]-2-methoxy-5-(methylsulfonyl)-; NCGC00015996-02; SPI-860

Indication

Disease Entry	ICD 11	Status	REF
Alcohol dependence	6C40.2	Approved	[1]
Neuropathic pain	8E43.0	Phase 1	[2]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

328.4

Logarithm of the Partition Coefficient (xlogp)

0.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [3]
Clearance: The clearance of drug is 16.6 L/h []
Half-life: The concentration or amount of drug in body reduced by one-half in 2.9C3.6 hours [4]
MRTD: The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 21.7485 micromolar/kg/day [5]
Vd: Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 1.1 L/kg [4]

Chemical Identifiers

Formula: C15H24N2O4S
IUPAC Name: N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide
Canonical SMILES: CCN(CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC
InChI: InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
InChIKey: JTVPZMFULRWINT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5467
ChEBI ID: CHEBI:94666
CAS Number: 51012-32-9
DrugBank ID: DB13025
TTD ID: D02LCR

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D2 receptor (D2R)	TTEX248	DRD2_HUMAN	Antagonist	[6]
Voltage-gated sodium channel alpha Nav1.8 (SCN10A)	TT90XZ8	SCNAA_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Alcohol dependence

ICD Disease Classification

6C40.2

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine D2 receptor (D2R)	DTT	DRD2	2.50E-02	-0.08	-0.49

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Emerging drugs in neuropathic pain. Expert Opin Emerg Drugs. 2007 Mar;12(1):113-26.
3	BDDCS predictions, self-correcting aspects of BDDCS assignments, BDDCS assignment corrections, and classification for more than 175 additional drugs
4	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
5	Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
6	The treatment of Tourette's syndrome: current opinions. Expert Opin Pharmacother. 2002 Jul;3(7):899-914.