Details of the Drug

General Information of Drug (ID: DMVXCPE)

• Drug Name: 1-(3-(4-(fluoromethyl)phenoxy)propyl)piperidine
• Synonyms: CHEMBL469388; 1-(3-(4-(fluoromethyl)phenoxy)propyl)piperidine

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); 251.34
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H22FNO
  IUPAC Name: 1-[3-[4-(fluoromethyl)phenoxy]propyl]piperidine
  Canonical SMILES: C1CCN(CC1)CCCOC2=CC=C(C=C2)CF
  InChI: InChI=1S/C15H22FNO/c16-13-14-5-7-15(8-6-14)18-12-4-11-17-9-2-1-3-10-17/h5-8H,1-4,9-13H2
  InChIKey: JRFMDYWVKRGBGL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44592096
  TTD ID: D0Y5WD

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] Fluorinated non-imidazole histamine H3 receptor antagonists. Bioorg Med Chem Lett. 2009 Apr 15;19(8):2172-5.