Details of the Drug

General Information of Drug (ID: DMWPM9L)

• Drug Name: 2-(4-Propyl-piperazin-1-yl)-quinoline
• Synonyms: CHEMBL180478; 2-(4-Propyl-piperazin-1-yl)-quinoline; Oprea1_188953; SCHEMBL3970431; 2-(4-Ethylpiperazino)quinoline; HEWVIFVVKWCRML-UHFFFAOYSA-N; BDBM50159120

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); 241.33
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H19N3
  IUPAC Name: 2-(4-ethylpiperazin-1-yl)quinoline
  Canonical SMILES: CCN1CCN(CC1)C2=NC3=CC=CC=C3C=C2
  InChI: InChI=1S/C15H19N3/c1-2-17-9-11-18(12-10-17)15-8-7-13-5-3-4-6-14(13)16-15/h3-8H,2,9-12H2,1H3
  InChIKey: HEWVIFVVKWCRML-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11370427
  TTD ID: D0Q0YC

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.