Details of the Drug

General Information of Drug (ID: DM4EC0J)

• Drug Name: 4-(6-Cyclopentyl-hex-3-ynyl)-1H-imidazole
• Synonyms: CHEMBL274977; 4-(6-Cyclopentyl-hex-3-ynyl)-1H-imidazole; SCHEMBL7621345; PDSP1_000105; ZINC13795227; BDBM50070220; PDSP2_000105; GT-2286; GT 2286

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); 216.32
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C14H20N2
  IUPAC Name: 5-(6-cyclopentylhex-3-ynyl)-1H-imidazole
  Canonical SMILES: C1CCC(C1)CCC#CCCC2=CN=CN2
  InChI: InChI=1S/C14H20N2/c1(3-7-13-8-5-6-9-13)2-4-10-14-11-15-12-16-14/h11-13H,3-10H2,(H,15,16)
  InChIKey: XFHACGZTJUJXHB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9794398
  TTD ID: D0V8MJ

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] New acetylene based histamine H3 receptor antagonists derived from the marine natural product verongamine. Bioorg Med Chem Lett. 1998 May 19;8(10):1133-8.