Details of the Drug

General Information of Drug (ID: DM3EYOL)

• Drug Name: 1-(3-(3-phenylpropoxy)propyl)piperidine
• Synonyms: CHEMBL462606; 1-(3-(3-phenylpropoxy)propyl)piperidine; 1-[3-(3-phenylpropoxy)propyl]piperidine; SCHEMBL491655; UYLNHGRGPLPMFD-UHFFFAOYSA-N; BDBM50247055; 3-Phenylpropyl 3-piperidinopropyl ether

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); 261.399
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C17H27NO
  IUPAC Name: 1-[3-(3-phenylpropoxy)propyl]piperidine
  Canonical SMILES: C1CCN(CC1)CCCOCCCC2=CC=CC=C2
  InChI: InChI=1S/C17H27NO/c1-3-9-17(10-4-1)11-7-15-19-16-8-14-18-12-5-2-6-13-18/h1,3-4,9-10H,2,5-8,11-16H2
  InChIKey: UYLNHGRGPLPMFD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9903343
  TTD ID: D09JSA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H3 receptor (H3R)	TT9JNIC	HRH3_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
Histamine H3 receptor (H3R)	DTT	HRH3	3.62E-02	-0.09	-0.22

References

• [1] Piperidine variations in search for non-imidazole histamine H(3) receptor ligands. Bioorg Med Chem. 2008 Sep 15;16(18):8729-36.