Details of the Drug

General Information of Drug (ID: DMT57WC)

Drug Name

Tetrahydrozoline

Synonyms

Tyzine

Indication

Disease Entry	ICD 11	Status	REF
Ocular disease	1F00.1Z	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

200.28

Logarithm of the Partition Coefficient (xlogp)

1.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

ADMET Property

Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 0.068-0.380 mcg/L [2]
Elimination: Following ocular administration of 0.05% tetryzoline, tetryzoline was detected in urine at 24 hours [3]
Half-life: The concentration or amount of drug in body reduced by one-half in 6 hours [3]

Chemical Identifiers

Formula: C13H16N2
IUPAC Name: 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
Canonical SMILES: C1CC(C2=CC=CC=C2C1)C3=NCCN3
InChI: InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
InChIKey: BYJAVTDNIXVSPW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5419
ChEBI ID: CHEBI:28674
CAS Number: 84-22-0
DrugBank ID: DB06764
TTD ID: D05IHU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-2C (ADRA2C)	TT2NUT5	ADA2C_HUMAN	Modulator	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Ocular disease

ICD Disease Classification

1F00.1Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor alpha-2C (ADRA2C)	DTT	ADRA2C	1.76E-01	-0.06	-0.28

Molecular Expression Atlas (MEA)

MEA Detail

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Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Tetrahydrozoline (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Methylene blue	DMJAPE7	Moderate	Decreased metabolism of Tetrahydrozoline caused by Methylene blue mediated inhibition of non-CYP450 enzyme.	Acquired methaemoglobinaemia [3A93]	[4]
Levomilnacipran	DMV26S8	Moderate	Increased risk of rapid heart rate by the combination of Tetrahydrozoline and Levomilnacipran.	Chronic pain [MG30]	[5]
Ozanimod	DMT6AM2	Moderate	Increased risk of hyperpyrexia by the combination of Tetrahydrozoline and Ozanimod.	Multiple sclerosis [8A40]	[6]
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References

1	Prolonged cardiovascular effects after unintentional ingestion of tetrahydrozoline. Clin Toxicol (Phila). 2008 Feb;46(2):171-2.
2	Stillwell ME, Saady JJ: Use of tetrahydrozoline for chemical submission. Forensic Sci Int. 2012 Sep 10;221(1-3):e12-6. doi: 10.1016/j.forsciint.2012.04.004. Epub 2012 May 1.
3	Tetrahydrozoline (Visine(R)) concentrations in serum and urine during therapeutic ocular dosing: a necessary first step in determining an overdose. Clin Toxicol (Phila). 2011 Nov;49(9):810-4. doi: 10.3109/15563650.2011.615064. Epub 2011 Oct 5.
4	Cusson JR, Goldenberg E, Larochelle P "Effect of a novel monoamine-oxidase inhibitor, moclobemide on the sensitivity to intravenous tyramine and norepinephrine in humans." J Clin Pharmacol 31 (1991): 462-7. [PMID: 2050833]
5	Product Information. Cymbalta (duloxetine). Lilly, Eli and Company, Indianapolis, IN.
6	Hunter KR, Boakes AJ, Laurence DR, Stern GM "Monoamine oxidase inhibitors and L-dopa." Br Med J 3 (1970): 388. [PMID: 5451592]