Details of the Drug

General Information of Drug (ID: DMXY9R5)

• Drug Name: (1-Phenethyl-piperidin-4-yl)-phenyl-methanone
• Synonyms: CHEMBL19589; (1-Phenethyl-piperidin-4-yl)-phenyl-methanone; SCHEMBL7839803; GEFOLRNTTIQKBZ-UHFFFAOYSA-N; ZINC13740924; BDBM50034203; Phenyl(1-phenethyl-4-piperidinyl) ketone; phenyl-[1-(2-phenylethyl)-4-piperidyl]-ketone

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); 293.4
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C20H23NO
  IUPAC Name: phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanone
  Canonical SMILES: C1CN(CCC1C(=O)C2=CC=CC=C2)CCC3=CC=CC=C3
  InChI: InChI=1S/C20H23NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2
  InChIKey: GEFOLRNTTIQKBZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10379653
  TTD ID: D08XGI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_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
5-HT 2A receptor (HTR2A)	DTT	HTR2A	1.68E-01	-0.3	-0.14
5-HT 2A receptor (HTR2A)	DTT	HTR2A	5.59E-01	0.15	0.21

References

• [1] Current and novel approaches to the drug treatment of schizophrenia. J Med Chem. 2001 Feb 15;44(4):477-501.