Details of the Drug

General Information of Drug (ID: DMXBEYQ)

Drug Name

4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole

Synonyms

CHEMBL309600; 4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole; SCHEMBL7987317; FUB-470; BDBM50067472; L018291; 4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole (FUB 470)

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)

226.27

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C14H14N2O
IUPAC Name: 5-[3-(4-ethynylphenoxy)propyl]-1H-imidazole
Canonical SMILES: C#CC1=CC=C(C=C1)OCCCC2=CN=CN2
InChI: InChI=1S/C14H14N2O/c1-2-12-5-7-14(8-6-12)17-9-3-4-13-10-15-11-16-13/h1,5-8,10-11H,3-4,9H2,(H,15,16)
InChIKey: LMKPPWNWUJXSAQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10082417
TTD ID: D04ATN

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Analogues and derivatives of ciproxifan, a novel prototype for generating potent histamine H3-receptor antagonists. Bioorg Med Chem Lett. 2000 Oct 16;10(20):2379-82.