Details of the Drug

General Information of Drug (ID: DMPU90E)

• Drug Name: 2-(4-Cyclopropyl-piperazin-1-yl)-quinoline
• Synonyms: CHEMBL179578; 2-(4-Cyclopropyl-piperazin-1-yl)-quinoline; SCHEMBL13648831; BDBM50159109

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); 253.34
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H19N3
  IUPAC Name: 2-(4-cyclopropylpiperazin-1-yl)quinoline
  Canonical SMILES: C1CC1N2CCN(CC2)C3=NC4=CC=CC=C4C=C3
  InChI: InChI=1S/C16H19N3/c1-2-4-15-13(3-1)5-8-16(17-15)19-11-9-18(10-12-19)14-6-7-14/h1-5,8,14H,6-7,9-12H2
  InChIKey: HOMYCGKCEABFJF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11324846
  TTD ID: D0K9WJ

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.