AZELASTINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 0L591QR10I
EPA CompTox DTXSID2045945
Parent Compound: AZELASTINE

Structure

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

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 43.45-134.85
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 43.45-134.85

Target Conservation

Protein: Histamine H1 receptor
Description: Histamine H1 receptor
Organism : Homo sapiens
P35367 ENSG00000196639

Cross References

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