General
Preferred name
TIOTROPIUM
Synonyms
Tiotropium (bromide hydrate) ()
BA-679 BR hydrate ()
TIOTROPIUM BROMIDE ()
BA679 BR ()
Tiopropium ()
BA-679 BR (hydrate) ()
Tiotropium (Bromide) ()
Tiotropium (bromide monohydrate) ()
Tiotropium Bromide hydrate ()
BA-679 BR (monohydrate) ()
BA 679BR ()
Tiotropium bromide hydrate ()
Tiotropium bromide anhydrous ()
Spiriva ()
Spiriva Respimat ()
BA 679 BR ()
BA-679BR ()
BA-679 BR ()
Tiotropium Bromide Monohydrate ()
BA-679-BR ()
Tiotropium cation ()
Braltus ()
Tiotropium ion ()
Tiotropium (bromide) ()
Tiotropium-d3 (bromide) ()
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
Phase 4
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)
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
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
TargetMol Bioactive Compound Library
T1179
Tocris Bioactive Compound Library
5902
External IDs
58
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)
Pathway
Neuroscience
GPCR/G protein
Neuronal Signaling
Target
mAChR
CHRM1, CHRM2, CHRM3
AChR
Primary Target
Non-selective Muscarinics
MOA
AChR antagonist
Antagonist
acetylcholine receptor antagonist
Indication
chronic obstructive pulmonary disease (COPD), bronchitis, emphysema
Source data