e-Drug3D

1295

TIOTROPIUM

INN
TIOTROPIUM

cas 186691-13-4

CLASS

RESPIRATORY
BRONCHODILATOR
ANTICHOLINERGIC
MUSCARINIC ANTAGONISTS
PARASYMPATHOLYTICS
COPD

ROUTE (list)

INHALATION

ATC code

R03AL10
R03AL06
R03BB04
R03BB54

PK parameters

F 19.5 PERCENT (INHALATION) AND 2.5 PERCENT (ORAL)
VD 2080 LITER (65 KILOGRAM)
Cl 52.8 LITER / HOUR
PPB 72 PERCENT
t1/2 132 HOUR

Solubility

SPARINGLY SOLUBLE IN WATER

Target

TARGET MUSCARINIC ACETYLCHOLINE RECEPTOR (M1-M5)

PDB
4DAJ (STRUCTURE OF THE M3 MUSCARINIC ACETYLCHOLINE RECEPTOR)

Ligand code = 0HK (link to the list of PDB complexes)

Download experimental 3D coordinates of 0HK with added hydrogens

DrugCentral

Muscarinic acetylcholine receptor M3 UNIPROT P20309 CHRM3

Download SDF file

3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2-hydroxy-2,2-di-2-thienylacetyl)oxy]-9,9-dimethyl-, (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-

Formula:
C19H22NO4S2

Calculated chemical properties:

MW 392.52
NB_atoms 26
XLogP 2.35
PSA 49.347
NB_HD 1
NB_HA 4
fsp3 0.53
Lipinski(0=no;1=yes) 1

FDA
NDA 021395 (label) INN (TIOTROPIUM BROMIDE) SPIRIVA (BOEHRINGER INGELHEIM) APPROVAL= AP YEAR= 2004 NEWMOLECULARENTITY
NDA 021936 (label) INN (TIOTROPIUM BROMIDE) SPIRIVA RESPIMAT (BOEHRINGER INGELHEIM) APPROVAL= AP YEAR= 2014
NDA 206756 (label) INN (OLODATEROL HYDROCHLORIDE ; TIOTROPIUM BROMIDE) STIOLTO RESPIMAT (BOEHRINGER INGELHEIM) APPROVAL= AP YEAR= 2015
NDA 207070 (label) INN (TIOTROPIUM BROMIDE) SPIRIVA RESPIMAT (BOEHRINGER INGELHEIM) APPROVAL= AP YEAR= 2015 NEWAPPLICATION
NDA 211287 (pdf not found) INN (TIOTROPIUM BROMIDE) TIOTROPIUM BROMIDE (LUPIN) APPROVAL= AP YEAR= 2023