Details of the Drug

General Information of Drug (ID: DM6XFMT)

• Drug Name: 1-Methyl-4-p-tolyl-piperidine-4-carbonitrile
• Synonyms: CHEMBL111498; 1-Methyl-4-p-tolyl-piperidine-4-carbonitrile; 1-methyl-4-(4-methylphenyl)piperidine-4-carbonitrile; ZINC13610036; BDBM50083527

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 214.31
  Logarithm of the Partition Coefficient (xlogp); 2.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H18N2
  IUPAC Name: 1-methyl-4-(4-methylphenyl)piperidine-4-carbonitrile
  Canonical SMILES: CC1=CC=C(C=C1)C2(CCN(CC2)C)C#N
  InChI: InChI=1S/C14H18N2/c1-12-3-5-13(6-4-12)14(11-15)7-9-16(2)10-8-14/h3-6H,7-10H2,1-2H3
  InChIKey: UWFQWENRHDTJQQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11184286
  TTD ID: D0N1AZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Serotonin transporter (SERT)	TT3ROYC	SC6A4_HUMAN	Inhibitor	[1]

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
Serotonin transporter (SERT)	DTT	SLC6A4	8.76E-01	7.18E-05	6.19E-04

References

• [1] Synthesis, dopamine and serotonin transporter binding affinities of novel analogues of meperidine. Bioorg Med Chem Lett. 1999 Dec 6;9(23):3273-6.