Details of the Drug

General Information of Drug (ID: DM6VQEO)

Drug Name
2-(4-Cyclopentyl-piperazin-1-yl)-quinoline
Synonyms CHEMBL178608; 2-(4-Cyclopentyl-piperazin-1-yl)-quinoline; SCHEMBL3970736
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 281.4
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H23N3
IUPAC Name
2-(4-cyclopentylpiperazin-1-yl)quinoline
Canonical SMILES
C1CCC(C1)N2CCN(CC2)C3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C18H23N3/c1-4-8-17-15(5-1)9-10-18(19-17)21-13-11-20(12-14-21)16-6-2-3-7-16/h1,4-5,8-10,16H,2-3,6-7,11-14H2
InChIKey
JGCMOVVEQUHZRT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11337173
TTD ID
D0FK6T

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.