LEVALBUTEROL HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII WDQ1526QJM
EPA CompTox DTXSID20198296
Parent Compound:

Structure

InChI Key OWNWYCOLFIFTLK-YDALLXLXSA-N
Smiles CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.Cl
InChI
InChI=1S/C13H21NO3.ClH/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;/h4-6,12,14-17H,7-8H2,1-3H3;1H/t12-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H22ClNO3
Molecular Weight 275.78
AlogP 1.31
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 72.72
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Beta-2 adrenergic receptor agonist AGONIST PubMed
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
- - - - 85.66-95.04
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 85.66-95.04

Target Conservation

Protein: Beta-2 adrenergic receptor
Description: Beta-2 adrenergic receptor
Organism : Homo sapiens
P07550 ENSG00000169252

Cross References

Resources Reference
ChEMBL CHEMBL1201061
FDA SRS WDQ1526QJM
PubChem 123601
SureChEMBL SCHEMBL40682
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