AZELASTINE

Search structure
Synonyms:
Status: Approved (1996)
Entry Type: Small molecule
Molecule Category: Parent
ATC: R01AC03
UNII: ZQI909440X

Structure
InChI Key MBUVEWMHONZEQD-UHFFFAOYSA-N
Smile CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1
InChI
InChI=1S/C22H24ClN3O/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

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24ClN3O
Molecular Weight 381.91
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

Primary Target
H1 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 1000 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 100-100 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 8000-20200 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 6310 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 50-50 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - 0-0 1-1 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 20 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Rhinitis, Allergic, Seasonal 3 D006255 ClinicalTrials
Rhinitis, Allergic, Seasonal 3 D006255 ClinicalTrials
Rhinitis, Allergic, Perennial 3 D012221 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 58581-89-8
ChEBI 2950
ChEMBL CHEMBL639
DrugBank DB00972
DrugCentral 271
EPA CompTox DTXSID6022638
FDA SRS ZQI909440X
Human Metabolome Database HMDB0015107
Guide to Pharmacology 7121
KEGG C07768
PharmGKB PA448517
PubChem 2267
SureChEMBL SCHEMBL4239
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