FENOTEROL

Search structure
Synonyms:
Status: Approved Withdrawn (1990)
Entry Type: Small molecule
Molecule Category: Parent
ATC: G02CA03
UNII: 22M9P70OQ9

Structure
InChI Key LSLYOANBFKQKPT-UHFFFAOYSA-N
Smile CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
InChI
InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H21NO4
Molecular Weight 303.36
AlogP 2.06
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 6.0
Polar Surface Area 92.95
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Beta-2 adrenergic receptor agonist
Primary Target
β2-adrenoceptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 2.408-9.368
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -61.7--0.38
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
18-19 60 100-139 126 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 102.67

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 3 D029424 ClinicalTrials
Asthma 3 D001249 ClinicalTrials
Heart Failure 1 D006333 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 13392-18-2
ChEBI 149226
ChEMBL CHEMBL32800
DrugBank DB01288
DrugCentral 1155
EPA CompTox DTXSID4023046
FDA SRS 22M9P70OQ9
Human Metabolome Database HMDB15405
Guide to Pharmacology 557
PharmGKB PA10079
PubChem 3343
SureChEMBL SCHEMBL5009
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