Details of the Drug

General Information of Drug (ID: DMX9YLR)

Drug Name

Pridopidine

Synonyms

PRIDOPIDINE; 346688-38-8; 4-[3-(Methylsulfonyl)phenyl]-1-propylpiperidine; 4-(3-(Methylsulfonyl)phenyl)-1-propylpiperidine; ACR-16; UNII-HD4TW8S2VK; ACR16; ACR 16; HD4TW8S2VK; CHEMBL596802; FR310826; Pridopidine [USAN:INN]; Pridopidine (USAN/INN); 4-(3-Methanesulfonyl-phenyl)-1-propyl-piperidine; SCHEMBL166748; CTK4H2809; DTXSID90188225; ASP 2314; ZINC22063703; BDBM50308028; AKOS015891431; DB11947; NCGC00386586-01; HY-10684; AS-50146; AJ-80925; FR 310826; DB-014417; AX8258340; CS-0002733; FT-0672149; Huntexil; Pridopidine hydrochloride; ASP-2314; Dopamine modulator (Huntingtons disease), Carlsson Research; Dopamine modulator (Huntingtons disease), NeuroSearch; Dopamine modulator (schizophrenia), Astellas; Dopamine modulator (schizophrenia), Fujisawa; Dopamine modulator (neurological disorders), Merck & Co

Indication

Disease Entry	ICD 11	Status	REF
Huntington disease	8A01.10	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

281.4

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H23NO2S
IUPAC Name: 4-(3-methylsulfonylphenyl)-1-propylpiperidine
Canonical SMILES: CCCN1CCC(CC1)C2=CC(=CC=C2)S(=O)(=O)C
InChI: InChI=1S/C15H23NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,12-13H,3,7-11H2,1-2H3
InChIKey: YGKUEOZJFIXDGI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9795739
CAS Number: 346688-38-8
DrugBank ID: DB11947
TTD ID: D0F4SY
VARIDT ID: DR00875

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	Modulator	[2]

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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

Huntington disease

ICD Disease Classification

8A01.10

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

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00665223) A Study of Treatment With ACR16 in Patients With Huntington's Disease. U.S. National Institutes of Health.
2	Efficacy and safety of the dopaminergic stabilizer Pridopidine (ACR16) in patients with Huntington's disease. Clin Neuropharmacol. 2010 Sep-Oct;33(5):260-4.