Details of the Drug

General Information of Drug (ID: DMS4JVT)

Drug Name
4-(3-Phenylethynyl-benzyl)-1H-imidazole
Synonyms CHEMBL449840; BDBM22538; 4-Benzyl-1H-imidazole derivative, 19
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) 258.3
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C18H14N2
IUPAC Name
5-[[3-(2-phenylethynyl)phenyl]methyl]-1H-imidazole
Canonical SMILES
C1=CC=C(C=C1)C#CC2=CC=CC(=C2)CC3=CN=CN3
InChI
InChI=1S/C18H14N2/c1-2-5-15(6-3-1)9-10-16-7-4-8-17(11-16)12-18-13-19-14-20-18/h1-8,11,13-14H,12H2,(H,19,20)
InChIKey
VIPAIZRIFZFESY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24825516
ChEBI ID
CHEMBL449840
TTD ID
D0FF0Z
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Debrisoquine 4-hydroxylase (CYP2D6) TTVG215 CP2D6_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 4-benzyl-1H-imidazoles with oxazoline termini as histamine H3 receptor agonists. J Med Chem. 2008 May 22;51(10):2944-53.