Details of the Drug

General Information of Drug (ID: DMRYWSN)

Drug Name
4-((1H-Imidazol-4-yl)methyl)-1-phenylpiperidine
Synonyms CHEMBL1171443; 4-((1H-Imidazol-4-yl)methyl)-1-phenylpiperidine
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) 241.33
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H19N3
IUPAC Name
4-(1H-imidazol-5-ylmethyl)-1-phenylpiperidine
Canonical SMILES
C1CN(CCC1CC2=CN=CN2)C3=CC=CC=C3
InChI
InChI=1S/C15H19N3/c1-2-4-15(5-3-1)18-8-6-13(7-9-18)10-14-11-16-12-17-14/h1-5,11-13H,6-10H2,(H,16,17)
InChIKey
DKJLGZJEDGFKIC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
49799252
TTD ID
D0J6NI

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 Synthesis and structure-activity relationships of N-aryl-piperidine derivatives as potent (partial) agonists for human histamine H3 receptor. Bioorg Med Chem. 2010 Jul 15;18(14):5441-8.