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]
Affected Organisms
Humans and other mammals
ATC Code
N05AL03: Tiapride
N05AL: Benzamides
N05A: ANTIPSYCHOTICS
N05: PSYCHOLEPTICS
N: NERVOUS SYSTEM
N05AL03: Tiapride
N05AL: Benzamides
N05A: ANTIPSYCHOTICS
N05: PSYCHOLEPTICS
N: NERVOUS SYSTEM
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) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
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
UNII
LAH70H9JPH
DrugBank ID
DB13025
TTD ID
D02LCR
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) Jump to Detail Molecular Expression Atlas of This Drug

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.