Details of the Drug

General Information of Drug (ID: DMEFKJD)

Drug Name

3-(2,3-Dimethyl-phenyl)-piperidine

Synonyms

3-(2,3-dimethylphenyl)piperidine; CHEMBL144019; 219703-97-6; 3-(2,3-Dimethyl-phenyl)-piperidine; 3-(dimethylphenyl) piperidine; SCHEMBL9310414; BDBM50068426; AKOS006308927

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)

189.3

Logarithm of the Partition Coefficient (xlogp)

2.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C13H19N
IUPAC Name: 3-(2,3-dimethylphenyl)piperidine
Canonical SMILES: CC1=C(C(=CC=C1)C2CCCNC2)C
InChI: InChI=1S/C13H19N/c1-10-5-3-7-13(11(10)2)12-6-4-8-14-9-12/h3,5,7,12,14H,4,6,8-9H2,1-2H3
InChIKey: TXQGNZXKUWJMKW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10679213
TTD ID: D02OEI

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	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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.