Details of the Drug

General Information of Drug (ID: DMDA6VL)

Drug Name
IODOPROXYFAN
Synonyms
Iodoproxyfan; CHEMBL19010; 152028-96-1; 5-[3-[(4-iodophenyl)methoxy]propyl]-1H-imidazole; 5-{3-[(4-iodophenyl)methoxy]propyl}-1H-imidazole; 4-[3-[(4-iodophenyl)methoxy]propyl]-3H-imidazole; AC1L31V0; SCHEMBL3089477; GTPL1253; 3-(1H-Imidazol-4-yl)propyl-(4-iodophenyl)methyl ether; BDBM22916; DTXSID30164942; ZINC5117186; PDSP2_000542; PDSP1_000544; L010934; 1H-Imidazole, 4-(3-((4-iodophenyl)methoxy)propyl)-
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) 342.18
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H15IN2O
IUPAC Name
5-[3-[(4-iodophenyl)methoxy]propyl]-1H-imidazole
Canonical SMILES
C1=CC(=CC=C1COCCCC2=CN=CN2)I
InChI
InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
InChIKey
DCQNAFOCXVCDLB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
132937
ChEBI ID
CHEMBL19010
CAS Number
152028-96-1
TTD ID
D08BSG
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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 [2]
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 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1253).
2 Different antagonist binding properties of human and rat histamine H3 receptors. Bioorg Med Chem Lett. 2001 Apr 9;11(7):951-4.