Details of the Drug

General Information of Drug (ID: DMX2QD5)

• Drug Name: 4-((1H-imidazol-4-yl)methyl)-1-heptylpiperidine
• Synonyms: CHEMBL424847; 4-((1H-imidazol-4-yl)methyl)-1-heptylpiperidine

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); 263.42
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C16H29N3
  IUPAC Name: 1-heptyl-4-(1H-imidazol-5-ylmethyl)piperidine
  Canonical SMILES: CCCCCCCN1CCC(CC1)CC2=CN=CN2
  InChI: InChI=1S/C16H29N3/c1-2-3-4-5-6-9-19-10-7-15(8-11-19)12-16-13-17-14-18-16/h13-15H,2-12H2,1H3,(H,17,18)
  InChIKey: PKTDABXMBJERIM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44406484
  TTD ID: D0V7YQ

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] Novel histamine H3 receptor antagonists based on the 4-[(1H-imidazol-4-yl)methyl]piperidine scaffold. Bioorg Med Chem Lett. 2006 Jan 15;16(2):395-9.