FENOTEROL

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Synonyms	Airum Berodual Berodual n Berotec Berotec 100 Berotec 200 Berotec [as hydrobromide] Dosberotec Duovent Fenoterol Fenoterol hbr Fenoterol hydrobromide NSC-757811 Partusisten TH 1165A TH 1165A FREE BASE TH 1165A [AS HYDROBROMIDE SALT] TH-1165 TH-1165A TH-1165A FREE BASE
Status
Molecule Category	UNKNOWN
ATC	G02CA03 R03AC04 R03CC04
UNII	22M9P70OQ9
EPA CompTox	DTXSID4023046


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	LSLYOANBFKQKPT-UHFFFAOYSA-N
Smiles	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

Bioactivity

Mechanism of Action	Action	Reference
Beta-2 adrenergic receptor agonist	AGONIST	PubMed PubMed PubMed PubMed


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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
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	-	-	-	-	103

Assay Description	Organism	Bioactivity	Reference
In vitro inhibitory concentration Beta-2 adrenergic receptor in Guinea pig trachea	Cavia porcellus	60.0 nM
Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction in presence of 1H-[1,2,4]oxadiazolo-[4,3-a]quinoxalin-1-one	Cavia porcellus	19.0 nM
Agonist activity at adrenergic beta-2 receptor in guinea pig tracheal rings assessed as myorelaxing activity on carbachol-induced contraction	Cavia porcellus	18.0 nM
Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM	Homo sapiens	100.0 nM
Displacement of [3H]-CGP12177 from human recombinant beta2 adrenoceptor expressed in HEK293 cells after 1 hr by scintillation counting analysis	Homo sapiens	126.0 nM
Binding affinity to N-terminal FLAG-tagged C-terminal His-10-tagged human beta2 adrenoceptor expressed in insect Sf9 cells by surface plasmon resonance analysis	Homo sapiens	139.0 nM
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	97.12 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	102.67 %

Related Entries

Cross References

Resources	Reference
ChEBI	149226
ChEMBL	CHEMBL32800
DrugBank	DB01288
DrugCentral	1155
FDA SRS	22M9P70OQ9
Human Metabolome Database	HMDB0015405
Guide to Pharmacology	557
PharmGKB	PA10079
PubChem	688468
SureChEMBL	SCHEMBL5009

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).