Details of the Drug

General Information of Drug (ID: DMSI3V4)

Drug Name

3-(3,5-Dimethyl-phenyl)-1-propyl-piperidine

Synonyms

CHEMBL144114; 3-(3,5-Dimethyl-phenyl)-1-propyl-piperidine; BDBM50068419

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

231.38

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C16H25N
IUPAC Name: 3-(3,5-dimethylphenyl)-1-propylpiperidine
Canonical SMILES: CCCN1CCCC(C1)C2=CC(=CC(=C2)C)C
InChI: InChI=1S/C16H25N/c1-4-7-17-8-5-6-15(12-17)16-10-13(2)9-14(3)11-16/h9-11,15H,4-8,12H2,1-3H3
InChIKey: AMPXVBOIQBSQML-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

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)

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References

1	N-n-Propyl-substituted 3-(dimethylphenyl)piperidines display novel discriminative properties between dopamine receptor subtypes: synthesis and rece... J Med Chem. 1998 Dec 3;41(25):4933-8.