Details of the Drug

General Information of Drug (ID: DM27OGL)

Drug Name

4-(8-Phenyl-oct-3-ynyl)-1H-imidazole

Synonyms

CHEMBL14811; 4-(8-Phenyl-oct-3-ynyl)-1H-imidazole; SCHEMBL7621857; ZINC13795232; BDBM50070216

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

252.35

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C17H20N2
IUPAC Name: 5-(8-phenyloct-3-ynyl)-1H-imidazole
Canonical SMILES: C1=CC=C(C=C1)CCCCC#CCCC2=CN=CN2
InChI: InChI=1S/C17H20N2/c1(2-4-9-13-17-14-18-15-19-17)3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,14-15H,1,3,6,9-10,13H2,(H,18,19)
InChIKey: MSBRTBBFZFRZEJ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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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)

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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.