Details of the Drug

General Information of Drug (ID: DMKV32D)

Drug Name
Xylometazoline
Synonyms
Xylometazoline (nasal mucoadhesive/MucoAd, congestion); Decongestant (nasal mucoadhesive/MucoAd, congestion), Strategic BioSciences; Xylometazoline (nasal mucoadhesive/MucoAd, congestion), Strategic BioSciences
Indication
Disease Entry ICD 11 Status REF
Allergic rhinitis CA08.0 Phase 4 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 244.37
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C16H24N2
IUPAC Name
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
Canonical SMILES
CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C
InChI
InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
InChIKey
HUCJFAOMUPXHDK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5709
ChEBI ID
CHEBI:10082
CAS Number
526-36-3
DrugBank ID
DB06694
TTD ID
D0Y4DY

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 [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Alpha-1A adrenergic receptor (ADRA1A) OTUIWCL5 ADA1A_HUMAN Protein Interaction/Cellular Processes [2]
Alpha-1B adrenergic receptor (ADRA1B) OTSAYAFD ADA1B_HUMAN Protein Interaction/Cellular Processes [2]
Alpha-1D adrenergic receptor (ADRA1D) OTW2CD1O ADA1D_HUMAN Protein Interaction/Cellular Processes [2]
Alpha-2A adrenergic receptor (ADRA2A) OTZFGOTP ADA2A_HUMAN Protein Interaction/Cellular Processes [2]
Alpha-2C adrenergic receptor (ADRA2C) OT5B9RKP ADA2C_HUMAN Protein Interaction/Cellular Processes [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Allergic rhinitis
ICD Disease Classification CA08.0
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) Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Xylometazoline (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Methylene blue DMJAPE7 Moderate Decreased metabolism of Xylometazoline caused by Methylene blue mediated inhibition of non-CYP450 enzyme. Acquired methaemoglobinaemia [3A93] [3]
Levomilnacipran DMV26S8 Moderate Increased risk of rapid heart rate by the combination of Xylometazoline and Levomilnacipran. Chronic pain [MG30] [4]
Desvenlafaxine DMHD4PE Moderate Additive hypertensive effects by the combination of Xylometazoline and Desvenlafaxine. Depression [6A70-6A7Z] [4]

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 517).
2 Alpha-adrenoceptor agonistic activity of oxymetazoline and xylometazoline. Fundam Clin Pharmacol. 2010 Dec;24(6):729-39.
3 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]
4 Product Information. Cymbalta (duloxetine). Lilly, Eli and Company, Indianapolis, IN.