Details of the Drug

General Information of Drug (ID: DM4GU29)

Drug Name
4-[3-(4-Methoxy-phenoxy)-propyl]-1H-imidazole
Synonyms
CHEMBL369714; SCHEMBL7987297; DEZXFTGWFMDRDA-UHFFFAOYSA-N; BDBM50092844; 4-[3-(4-Methoxyphenoxy)propyl]-1H-imidazole; 3-(1H-Imidazol-4-yl)propyl 4-methoxyphenyl ether; 4-[3-(4-Methoxy-phenoxy)-propyl]-1H-imidazole; compound with but-2-enedioic acid(0.25M H2O)
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) 232.28
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H16N2O2
IUPAC Name
5-[3-(4-methoxyphenoxy)propyl]-1H-imidazole
Canonical SMILES
COC1=CC=C(C=C1)OCCCC2=CN=CN2
InChI
InChI=1S/C13H16N2O2/c1-16-12-4-6-13(7-5-12)17-8-2-3-11-9-14-10-15-11/h4-7,9-10H,2-3,8H2,1H3,(H,14,15)
InChIKey
DEZXFTGWFMDRDA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10681081
TTD ID
D0O3GR

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 Different antagonist binding properties of human and rat histamine H3 receptors. Bioorg Med Chem Lett. 2001 Apr 9;11(7):951-4.