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 PubMed PubMed PubMed PubMed
Primary Target
β2-adrenoceptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 3 D001249 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 3 D029424 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 HMDB0015405
Guide to Pharmacology 557
PharmGKB PA10079
PubChem 688468
SureChEMBL SCHEMBL5009