Details of the Drug

General Information of Drug (ID: DM0DH98)

• Drug Name: 1-phenyl-1-(piperidin-2-yl)propan-2-one
• Synonyms: CHEMBL219540; 1-phenyl-1-(piperidin-2-yl)propan-2-one

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); 217.31
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H19NO
  IUPAC Name: 1-phenyl-1-piperidin-2-ylpropan-2-one
  Canonical SMILES: CC(=O)C(C1CCCCN1)C2=CC=CC=C2
  InChI: InChI=1S/C14H19NO/c1-11(16)14(12-7-3-2-4-8-12)13-9-5-6-10-15-13/h2-4,7-8,13-15H,5-6,9-10H2,1H3
  InChIKey: IYNBYQDXVFMDGE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16102777
  TTD ID: D08JCK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine transporter (DAT)	TTVBI8W	SC6A3_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
Dopamine transporter (DAT)	DTT	SLC6A3	1.08E-03	-3.08	-1.99

References

• [1] Slow-onset, long-duration, alkyl analogues of methylphenidate with enhanced selectivity for the dopamine transporter. J Med Chem. 2007 Jan 25;50(2):219-32.