Details of the Drug

General Information of Drug (ID: DMUH526)

• Drug Name: 2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline
• Synonyms: CHEMBL360156; 2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline; SCHEMBL3971032

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); 283.4
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C18H25N3
  IUPAC Name: 2-(4-pentan-3-ylpiperazin-1-yl)quinoline
  Canonical SMILES: CCC(CC)N1CCN(CC1)C2=NC3=CC=CC=C3C=C2
  InChI: InChI=1S/C18H25N3/c1-3-16(4-2)20-11-13-21(14-12-20)18-10-9-15-7-5-6-8-17(15)19-18/h5-10,16H,3-4,11-14H2,1-2H3
  InChIKey: FNSKLNDKQPXTIL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11314275
  TTD ID: D06RPY

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] 2-(4-alkylpiperazin-1-yl)quinolines as a new class of imidazole-free histamine H3 receptor antagonists. J Med Chem. 2005 Jan 13;48(1):306-11.