OLOPATADINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1996)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 2XG66W44KF
Parent Compound: OLOPATADINE

Structure
InChI Key HVRLZEKDTUEKQH-NOILCQHBSA-N
Smile CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21.Cl
InChI
InChI=1S/C21H23NO3.ClH/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24;/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24);1H/b18-8-;

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H24ClNO3
Molecular Weight 373.88
AlogP 3.59
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 49.77
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - - 3
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - 16 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rhinitis, Allergic, Seasonal 4 D006255 ClinicalTrials
Rhinitis, Allergic, Seasonal 4 D006255 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Eye disorders
28.54
General disorders and administration site conditions
27.36
Nervous system disorders
8.93
Immune system disorders
5.82
Injury, poisoning and procedural complications
5.46
Respiratory, thoracic and mediastinal disorders
4.65
Skin and subcutaneous tissue disorders
4.49
Product issues
3.27
Gastrointestinal disorders
2.95

Cross References

Resources Reference
ChEBI 31933
ChEMBL CHEMBL1719
EPA CompTox DTXSID0046486
FDA SRS 2XG66W44KF
PubChem 5282402
SureChEMBL SCHEMBL23213
ZINC ZINC00001850
CONTENTS