TERBUTALINE


Synonyms	Asthmasian Brethaire Brethine Bricanyl Terbutalin Terbutaline
Status
Molecule Category	Free-form
ATC	R03AC03 R03CC03
UNII	N8ONU3L3PG
EPA CompTox	DTXSID7021310

Structure


InChI Key	XWTYSIMOBUGWOL-UHFFFAOYSA-N
Smiles	CC(C)(C)NCC(O)c1cc(O)cc(O)c1
InChI	InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C12H19NO3
Molecular Weight	225.29
AlogP	1.52
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	3.0
Polar Surface Area	72.72
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	16.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-	2.6

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	2.6

Related Entries

Environmental Exposure

Environmental Exposure Map

Countries
Czech Republic
Germany
Hungary
Romania
Serbia

Cross References

Resources	Reference
ChEBI	9449
ChEMBL	CHEMBL1760
DrugBank	DB00871
DrugCentral	2598
FDA SRS	N8ONU3L3PG
Human Metabolome Database	HMDB0015009
Guide to Pharmacology	560
KEGG	C07129
PharmGKB	PA451616
PubChem	5403
SureChEMBL	SCHEMBL4391

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).

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).