Details of the Drug

General Information of Drug (ID: DMA4L5P)

• Drug Name: N-[4-(4-Phenyl-piperazin-1-yl)-butyl]-benzamide
• Synonyms: CHEMBL27393; N-[4-(4-Phenyl-piperazin-1-yl)-butyl]-benzamide; BDBM50022717

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); 337.5
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C21H27N3O
  IUPAC Name: N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
  Canonical SMILES: C1CN(CCN1CCCCNC(=O)C2=CC=CC=C2)C3=CC=CC=C3
  InChI: InChI=1S/C21H27N3O/c25-21(19-9-3-1-4-10-19)22-13-7-8-14-23-15-17-24(18-16-23)20-11-5-2-6-12-20/h1-6,9-12H,7-8,13-18H2,(H,22,25)
  InChIKey: SPKHLKULRLEZKZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 14162480
  TTD ID: D09BYW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_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 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

References

• [1] Arylpiperazine derivatives as high-affinity 5-HT1A serotonin ligands. J Med Chem. 1988 Oct;31(10):1968-71.