AZELASTINE

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Synonyms
Status
Molecule Category Free-form
ATC R01AC03 R06AX19 S01GX07
UNII ZQI909440X
EPA CompTox DTXSID6022638

Structure

InChI Key MBUVEWMHONZEQD-UHFFFAOYSA-N
Smiles 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
Number of Rotational Bond 3.0
Polar Surface Area 38.13
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 100-100 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 50.12-50.12 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - 0.1995-0.1995 1.202-158.49 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 19.95-501.19 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 20 - - -
Homo sapiens
- 100-100 0.1995-0.1995 1.202-501.19 -
Rattus norvegicus
- - - 50.12 -

Related Entries

Cross References

Resources Reference
ChEBI 2950
ChEMBL CHEMBL639
DrugBank DB00972
DrugCentral 271
FDA SRS ZQI909440X
Human Metabolome Database HMDB0015107
Guide to Pharmacology 7121
KEGG C07768
PharmGKB PA448517
PubChem 2267
SureChEMBL SCHEMBL4239
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