Details of the Drug

General Information of Drug (ID: DMOW0L9)

Drug Name
3-(3,4-Dimethyl-phenyl)-piperidine
Synonyms 3-(3,4-dimethylphenyl)piperidine; CHEMBL356746; 219703-95-4; 3-(3,4-Dimethyl-phenyl)-piperidine; BDBM50068423; AKOS013783555
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
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-(3,4-dimethylphenyl)piperidine
Canonical SMILES
CC1=C(C=C(C=C1)C2CCCNC2)C
InChI
InChI=1S/C13H19N/c1-10-5-6-12(8-11(10)2)13-4-3-7-14-9-13/h5-6,8,13-14H,3-4,7,9H2,1-2H3
InChIKey
NDGKSXYKTXZIQO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10103976
TTD ID
D0S1GB

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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) 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.