Details of the Drug

General Information of Drug (ID: DMVFJR4)

• Drug Name: VUF 5681
• Synonyms: CHEMBL78498; 4-[3-(1h-imidazol-4-yl)propyl]piperidine; 768358-61-8; VUF-5681; 4-[3-(1H-IMIDAZOL-4-YL)-PROPYL]-PIPERIDINE; SCHEMBL15139142; CHEBI:93084; ZINC13530263; BDBM50409817; AKOS006290761; NCGC00167742-01; KB-333611

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); 193.29
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C11H19N3
  IUPAC Name: 4-[3-(1H-imidazol-5-yl)propyl]piperidine
  Canonical SMILES: C1CNCCC1CCCC2=CN=CN2
  InChI: InChI=1S/C11H19N3/c1(3-11-8-13-9-14-11)2-10-4-6-12-7-5-10/h8-10,12H,1-7H2,(H,13,14)
  InChIKey: YPGRNKJNOSUCLY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10330240
  ChEBI ID: CHEBI:93084
  CAS Number: 768358-61-8
  TTD ID: D01CJZ

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	Antagonist	[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] The histamine H3 receptor: from gene cloning to H3 receptor drugs. Nat Rev Drug Discov. 2005 Feb;4(2):107-20.