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
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 317.9
Logarithm of the Partition Coefficient 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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE 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 Modulator [1]
Dopamine D3 receptor (D3R) TT4C8EA DRD3_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The dopamine stabilizer (-)-OSU6162 occupies a subpopulation of striatal dopamine D2/D3 receptors: an [(11)C]raclopride PET study in healthy human subjects. Neuropsychopharmacology. 2015 Jan;40(2):472-9.