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Compound Detail

CHEMBL3084748

TROSPIUM CHLORIDE
💊 Approved Drug
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💊 Approved Drug
O=C(O[C@H]1C[C@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3084748
Name TROSPIUM CHLORIDE
Phase Approved
Structure Type MOL
InChI Key RVCSYOQWLPPAOA-QKYUOBHYSA-M
Therapeutic ✓ Yes
Parent Compound CHEMBL1888176
Active Moiety CHEMBL1888176

Known Names

Chlorure de trospium Cloruro de trospio Flotros IP-631 IP631 Regurin Regurin xl Relaspium Sanctura Sanctura xr Spasmex Spasmo-lyt +5 more
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
17
Known Names
4
Indications
2
Mechanisms

Molecular Properties

392.5
MW (Da)
3.77
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2004
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

First in Class
USAN Stem -ium
USAN Year 2001

Extended Properties

Molecular Formula C25H30ClNO3
MW 427.97
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.25

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Muscarinic acetylcholine receptor M3 antagonist ANTAGONIST Muscarinic acetylcholine receptor M3 ✓ ✓
Muscarinic acetylcholine receptor M2 antagonist ANTAGONIST Muscarinic acetylcholine receptor M2 ✓ ✓

Indications

Urinary Bladder, Overactive Urinary Incontinence, Urge Schizophrenia Pulmonary Disease, Chronic Obstructive

Activity Summary

Ki 5 meas. best 8.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M3
CHEMBL245
 Ki 8.99 8.99 1.0 1
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 8.94 8.94 1.1 1
Muscarinic acetylcholine receptor M4
CHEMBL1821
 Ki 8.84 8.84 1.4 1
Muscarinic acetylcholine receptor M1
CHEMBL216
 Ki 8.46 8.46 3.5 1
Muscarinic acetylcholine receptor M5
CHEMBL2035
 Ki 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M3 Ki = 1.023 nM 8.99 Displacement of [3H]NMS from human recombinant muscarinic receptor M3 expressed ... 32374602
Muscarinic acetylcholine receptor M2 Ki = 1.148 nM 8.94 Displacement of [3H]NMS from human recombinant muscarinic receptor M2 expressed ... 32374602
Muscarinic acetylcholine receptor M4 Ki = 1.445 nM 8.84 Displacement of [3H]NMS from human recombinant muscarinic receptor M4 expressed ... 32374602
Muscarinic acetylcholine receptor M1 Ki = 3.467 nM 8.46 Displacement of [3H]NMS from human recombinant muscarinic receptor M1 expressed ... 32374602
Muscarinic acetylcholine receptor M5 Ki = 6.026 nM 8.22 Displacement of [3H]NMS from human recombinant muscarinic receptor M5 expressed ... 32374602

Literature References

PubMed DOI Target Context # Activities
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
32374602 10.1021/acs.jmedchem.9b02100 Muscarinic acetylcholine receptor M1 1
32374602 10.1021/acs.jmedchem.9b02100 Muscarinic acetylcholine receptor M2 1
32374602 10.1021/acs.jmedchem.9b02100 Muscarinic acetylcholine receptor M3 1
32374602 10.1021/acs.jmedchem.9b02100 Muscarinic acetylcholine receptor M4 1
32374602 10.1021/acs.jmedchem.9b02100 Muscarinic acetylcholine receptor M5 1
32374602 10.1021/acs.jmedchem.9b02100 Muscarinic acetylcholine receptors; M2 & M3 1

Data from ChEMBL 36 via Core Engine