SALMETEROL XINAFOATE

Search structure
Synonyms:
Status: Approved (1994)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6EW8Q962A5

Structure
InChI Key XTZNCVSCVHTPAI-UHFFFAOYSA-N
Smile O=C(O)c1ccc2ccccc2c1O.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O
InChI
InChI=1S/C25H37NO4.C11H8O3/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2;1-6,12H,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H45NO7
Molecular Weight 603.76
AlogP 4.11
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 16.0
Polar Surface Area 81.95
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Beta-2 adrenergic receptor agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 16.53
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -5.85--2
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
4.49 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Obesity 2 D009765 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 9012
ChEMBL CHEMBL1082607
EPA CompTox DTXSID1045798
FDA SRS 6EW8Q962A5
PubChem 54687251
SureChEMBL SCHEMBL18070
CONTENTS