OXYMETAZOLINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1986)
Entry Type: Small molecule
Molecule Category: Salt
UNII: K89MJ0S5VY
Parent Compound:

Structure
InChI Key BEEDODBODQVSIM-UHFFFAOYSA-N
Smile Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.Cl
InChI
InChI=1S/C16H24N2O.ClH/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14;/h8,19H,6-7,9H2,1-5H3,(H,17,18);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H25ClN2O
Molecular Weight 296.84
AlogP 2.85
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 44.62
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Adrenergic receptor alpha agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 10.8
Enzyme Transferase
- - - - 23.09
Enzyme
- - - - 10.8
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
3.29 - - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
70 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 104.73

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Blepharoptosis 4 D001763 ClinicalTrials
Rhinitis, Allergic, Seasonal 4 D006255 ClinicalTrials
Erythema 3 D004890 ClinicalTrials
Conjunctivitis, Allergic 2 D003233 ClinicalTrials
Presbyopia 2 D011305 ClinicalTrials

Related Entries

UNKNOWN
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
30.17
Injury, poisoning and procedural complications
28.19
Eye disorders
13.98
Skin and subcutaneous tissue disorders
12.48
Nervous system disorders
5.52
Gastrointestinal disorders
2.52

Cross References

Resources Reference
ChEBI 7863
ChEMBL CHEMBL1200791
EPA CompTox DTXSID80177729
FDA SRS K89MJ0S5VY
Guide to Pharmacology 124
KEGG C07363
PubChem 66259
SureChEMBL SCHEMBL41247
ZINC ZINC00057435
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