e-Drug3D

1411

SALMETEROL


INN
SALMETEROL

cas 89365-50-4
CLASS

RESPIRATORY
SYMPATHOMIMETIC
BETA2-ADRENERGIC BRONCHODILATOR AGONIST

ROUTE (list)

INHALATION

ATC code

R03AC12
R03AK12
R03AK06

PK parameters

Cmax 0.36 NANOMOLAR (42 MICROGRAM TWICE DAILY)
PPB 96 PERCENT
t1/2 5.5 HOUR

Solubility

SPARINGLY SOLUBLE IN WATER


Target

TARGET BETA-2 ADRENERGIC RECEPTOR

PDB
6MXT (CRYSTAL STRUCTURE OF HUMAN BETA2 ADRENERGIC RECEPTOR BOUND TO SALMETEROL AND NB71)

Ligand code = K5Y (link to the list of PDB complexes)

Download experimental 3D coordinates of K5Y with added hydrogens

DrugCentral

Beta-2 adrenergic receptor UNIPROT P07550 ADRB2

Download SDF file 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol

Formula:
C25H37NO4

Calculated chemical properties:

MW 415.56
NB_atoms 30
XLogP 4.11
PSA 85.817
NB_HD 4
NB_HA 5
fsp3 0.52
Lipinski(0=no;1=yes) 1

FDA
NDA 020236 (label) INN (SALMETEROL XINAFOATE) SEREVENT (GLAXOSMITHKLINE) APPROVAL= AP YEAR= 1994 DISCONTINUED
NDA 020692 (label) INN (SALMETEROL XINAFOATE) SEREVENT (GLAXOSMITHKLINE) APPROVAL= AP YEAR= 1997
NDA 021077 (label) INN (FLUTICASONE PROPIONATE ; SALMETEROL XINAFOATE) ADVAIR DISKUS 100/50 (GLAXO GRP LTD) APPROVAL= AP YEAR= 2000
NDA 021254 (label) INN (FLUTICASONE PROPIONATE ; SALMETEROL XINAFOATE) ADVAIR HFA (GLAXO GRP LTD) APPROVAL= AP YEAR= 2006
NDA 208799 (label) INN (FLUTICASONE PROPIONATE ; SALMETEROL XINAFOATE) AIRDUO RESPICLICK (TEVA PHARM) APPROVAL= AP YEAR= 2017
NDA 208891 (label) INN (FLUTICASONE PROPIONATE ; SALMETEROL XINAFOATE) WIXELA INHUB (MYLAN) APPROVAL= AP YEAR= 2019
NDA 203433 (pdf not found) INN (FLUTICASONE PROPIONATE ; SALMETEROL XINAFOATE) FLUTICASONE PROPIONATE AND SALMETEROL XINAFOATE (HIKMA) APPROVAL= AP YEAR= 2020
NDA 213948 (pdf not found) INN (FLUTICASONE PROPIONATE ; SALMETEROL XINAFOATE) FLUTICASONE PROPIONATE AND SALMETEROL XINAFOATE (TEVA PHARMS USA) APPROVAL= AP YEAR= 2021
NDA 214464 (pdf not found) INN (FLUTICASONE PROPIONATE ; SALMETEROL XINAFOATE) FLUTICASONE PROPIONATE AND SALMETEROL XINAFOATE (RESPIRENT PHARMS) APPROVAL= AP YEAR= 2026

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL