Details of the Drug

General Information of Drug (ID: DMLMISK)

• Drug Name: PNU-96391A
• Synonyms: (-)-OSU-6162

Indication

Disease Entry	ICD 11	Status	REF
Substance use disorder	6C4Z	Terminated	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 317.9
  Topological Polar Surface Area; Not Available
  Rotatable Bond Count; 4
  Hydrogen Bond Donor Count; 1
  Hydrogen Bond Acceptor Count; 3
• Chemical Identifiers:
  Formula: C15H24ClNO2S
  IUPAC Name: (3S)-3-(3-methylsulfonylphenyl)-1-propylpiperidine;hydrochloride
  Canonical SMILES: CCCN1CCC[C@H](C1)C2=CC(=CC=C2)S(=O)(=O)C.Cl
  InChI: InChI=1S/C15H23NO2S.ClH/c1-3-9-16-10-5-7-14(12-16)13-6-4-8-15(11-13)19(2,17)18;/h4,6,8,11,14H,3,5,7,9-10,12H2,1-2H3;1H/t14-;/m1./s1
  InChIKey: LEMGVHZVBREXAD-PFEQFJNWSA-N
• Cross-matching ID:
  PubChem CID: 9836644
  CAS Number: 156907-84-5
  TTD ID: D0G3MH

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	[1]
Dopamine D3 receptor (D3R)	TT4C8EA	DRD3_HUMAN	Modulator	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Substance use disorder
• ICD Disease Classification: 6C4Z

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

References

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• [10] The Detection of Dopamine Gene Receptors (DRD1-DRD5) Expression on Human Peripheral Blood Lymphocytes by Real Time PCR. Iran J Allergy Asthma Immunol. 2004 Dec;3(4):169-74.
• [11] Dopaminergic synapses in the matrix of the ventrolateral striatum after chronic haloperidol treatment. Synapse. 2002 Aug;45(2):78-85.
• [12] CYP2D6 and DRD2 genes differentially impact pharmacodynamic sensitivity and time course of prolactin response to perphenazine. Pharmacogenet Genomics. 2007 Nov;17(11):989-93.
• [13] Synthesis and in vitro binding of N-phenyl piperazine analogs as potential dopamine D3 receptor ligands. Bioorg Med Chem. 2005 Jan 3;13(1):77-87.
• [14] Screening of domperidone in wastewater by high performance liquid chromatography and solid phase extraction methods. Talanta. 2006 Jan 15;68(3):928-31.
• [15] 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: 3639).
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• [17] [The benzamides tiapride, sulpiride, and amisulpride in treatment for Tourette's syndrome]. Nervenarzt. 2007 Mar;78(3):264, 266-8, 270-1.
• [18] Modulatory role of dopamine D2 receptors and fundamental role of L-type Ca2+ channels in the induction of long-term potentiation in the basolateral... Eur J Pharmacol. 2009 Mar 15;606(1-3):90-3.
• [19] Hughes B: 2009 FDA drug approvals. Nat Rev Drug Discov. 2010 Feb;9(2):89-92.