General
Preferred name
TIOTROPIUM
Synonyms
Tiotropium (bromide hydrate) ()
BA-679 BR hydrate ()
TIOTROPIUM BROMIDE ()
BA-679 BR (hydrate) ()
Tiotropium Bromide hydrate ()
Tiotropium (Bromide) ()
Tiotropium (bromide monohydrate) ()
BA679 BR ()
BA-679 BR (monohydrate) ()
BA 679BR ()
Tiotropium (bromide) ()
Braltus ()
BROMURO DE TIOTROPIO ()
BA-679 BR ()
Tiotropium bromide hydrate ()
BROMURE DE TIOTROPIUM ()
BA-679-BR ()
BA-679BR ()
TIOTROPIUM BROMIDE MONOHYDRATE ()
TIOTROPIUM BROMIDE ANHYDROUS ()
BA 679 BR ()
Spiriva ()
SPIRIVA RESPIMAT ()
Tiotropium ion ()
Tiotropium cation ()
Tiotropium-d3 (bromide) ()
BRALTUS ()
P&D ID
PD016319
CAS
136310-93-5
411207-31-3
139404-48-1
1127226-56-5
Tags
available
drug
Drug Status
approved
Max Phase
4.0
Drug indication
Chronic obstructive pulmonary disease
First approval
2004
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Tiotropium Bromide (BA679 BR) is a muscarinic acetylcholine receptor (mAChR) antagonist that blocks the binding of the acetylcholine ligand and subsequent opening of the ligand-gated ion channel.
DESCRIPTION Tiotropium bromide (BA-679 BR) monohydrate is a long-acting muscarinic receptor antagonist[1][2].
PRICE 29
DESCRIPTION Tiotropium Bromide hydrate (BA-679 BR hydrate) is a potent anticholinergic and bronchodilator, serving as a muscarinic receptor antagonist, specifically targeting mAChR. It is developed for treating chronic obstructive airways disease (COPD), demonstrating novel and long-lasting effects. Binding studies with [3H]tiotropium bromide in human lung reveal its high potency and equivalent affinity for M1-, M2-, and M3-receptors, making it roughly 10 times more effective than ipratropium bromide. It notably inhibits cholinergic nerve-induced contraction of both guinea-pig and human airways more potently than atropine or ipratropium bromide, albeit with a slower onset. Tiotropium bromide uniquely presents slow dissociation from M3-receptors on airway smooth muscle and rapid dissociation from M2 autoreceptors on cholinergic nerve terminals. As a quaternary ammonium derivative, it shows high affinity and special kinetic selectivity towards muscarinic receptors across M1-, M2-, and M3-subtypes, due to its slower dissociation from M1- and M3-receptors compared to M2-receptors.
MOA Tiotropium is a muscarinic receptor antagonist. As such, it is capable of eliciting antimuscarinic and/or anticholinergic effects. Although it does not display selectivity for specific muscarinic receptors, on topical application it acts mainly on M3 muscarinic receptors located in the airways to produce smooth muscle relaxation, thus producing a bronchodilatory effect.
DESCRIPTION FFA2 (GPR43) inverse agonist (Tocris Bioactive Compound Library)
Compound Sets
14
Cayman Chemical Bioactives
15773
25285
ChEMBL Approved Drugs
CHEMBL3545181
CHEMBL1900528
ChEMBL Drugs
CHEMBL3545181
CHEMBL1900528
Drug Repurposing Hub
DrugBank
DB01409
DrugBank Approved Drugs
DB01409
EU-OPENSCREEN Bioactive Compound Library
EOS101750
EUbOPEN Chemogenomics Library
EUB0000928
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL3545181
MedChem Express Bioactive Compound Library
HY-17360
HY-B0460
NCATS Inxight Approved Drugs
0EB439235F
ReFrame library
Selleckchem Bioactive Compound Library
Tiotropium-Bromide-hydrate
Tocris Bioactive Compound Library
5902
External IDs
63
Properties
(calculated by RDKit )
Molecular Weight
392.1
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
5
Aromatic Ring Count
2
cLogP
2.35
TPSA
59.06
Fraction CSP3
0.53
Chiral centers
5.0
Largest ring
6.0
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Primary Target
Non-selective Muscarinics
MOA
AChR antagonist
Antagonist
acetylcholine receptor antagonist
Indication
chronic obstructive pulmonary disease (COPD), bronchitis, emphysema
Target
CHRM1, CHRM2, CHRM3
mAChR
AChR
Pathway
GPCR/G protein
Neuronal Signaling
Recommended Cell Concentration
None
Source data