AZELASTINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1996)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 0L591QR10I
Parent Compound: AZELASTINE

Structure
InChI Key YEJAJYAHJQIWNU-UHFFFAOYSA-N
Smile CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.Cl
InChI
InChI=1S/C22H24ClN3O.ClH/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h2-3,6-11,18H,4-5,12-15H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25Cl2N3O
Molecular Weight 418.37
AlogP 4.3
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 38.13
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0.5147
Enzyme Transferase
- - - - 8.37
Enzyme
- - - - 0.5147
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 1.36-24.58
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - - 96.38
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - 4277.1 36.13
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 1451.11
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 1176.52 24.06
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - 1.09 1.53
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 2092.42 5.72
Membrane receptor
- - - 1.09
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - - 19.78
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 134.85

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rhinitis, Allergic, Perennial 4 D012221 ClinicalTrials
Common Cold 3 D003139 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
17.88
Respiratory, thoracic and mediastinal disorders
17.15
General disorders and administration site conditions
13.99
Gastrointestinal disorders
13.69
Injury, poisoning and procedural complications
7.37
Psychiatric disorders
5.92
Cardiac disorders
4.33
Skin and subcutaneous tissue disorders
3.95
Vascular disorders
3.55
Eye disorders
2.6

Cross References

Resources Reference
ChEBI 2951
ChEMBL CHEMBL1200809
EPA CompTox DTXSID2045945
FDA SRS 0L591QR10I
Guide to Pharmacology 7121
KEGG C07768
PubChem 54360
SureChEMBL SCHEMBL36770
ZINC ZINC00897240
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