Details of the Drug

General Information of Drug (ID: DM5MHO6)

Drug Name
4-Hept-3-ynyl-1H-imidazole
Synonyms CHEMBL276804; 4-Hept-3-ynyl-1H-imidazole; 1H-Imidazole, 5-(3-heptyn-1-yl)-; SCHEMBL7620435; 4-(3-Heptynyl)-1H-imidazole; BDBM50070215
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) 162.23
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C10H14N2
IUPAC Name
5-hept-3-ynyl-1H-imidazole
Canonical SMILES
CCCC#CCCC1=CN=CN1
InChI
InChI=1S/C10H14N2/c1-2-3-4-5-6-7-10-8-11-9-12-10/h8-9H,2-3,6-7H2,1H3,(H,11,12)
InChIKey
UDXIRDIVFQGLKT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10630835
TTD ID
D0W1GR

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 New acetylene based histamine H3 receptor antagonists derived from the marine natural product verongamine. Bioorg Med Chem Lett. 1998 May 19;8(10):1133-8.