Details of the Drug

General Information of Drug (ID: DMD3CA5)

Drug Name

UCL-1390

Synonyms

UCL-1390; CHEMBL113030; AC1O4XEX; 4-[3-(1H-Imidazol-4-yl)propoxy]benzonitrile; SCHEMBL650642; XQNBJFUWFIHAMW-UHFFFAOYSA-N; ZINC1536439; BDBM50053278; 4-[3-(1H-imidazol-5-yl)propoxy]benzonitrile; 4-[3-(1H-Imidazol-4-yl)-propoxy]-benzonitrile; L009128; 4-[3-(1H-Imidazol-4-yl)-propoxy]-benzonitrile (UCL 1390)

Indication

Disease Entry	ICD 11	Status	REF
Eating disorder	6B82	Terminated	[1]
Epilepsy	8A60-8A68	Terminated	[1]
Pain	MG30-MG3Z	Terminated	[1]
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Therapeutic Class

Analgesics

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

227.26

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C13H13N3O
IUPAC Name: 4-[3-(1H-imidazol-5-yl)propoxy]benzonitrile
Canonical SMILES: C1=CC(=CC=C1C#N)OCCCC2=CN=CN2
InChI: InChI=1S/C13H13N3O/c14-8-11-3-5-13(6-4-11)17-7-1-2-12-9-15-10-16-12/h3-6,9-10H,1-2,7H2,(H,15,16)
InChIKey: XQNBJFUWFIHAMW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 6421295
TTD ID: D06TEO

Repurposed Drugs (RPD)

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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	Antagonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005172)
2	Emerging drugs for eating disorder treatment. Expert Opin Emerg Drugs. 2006 May;11(2):315-36.