Compound Detail
CHEMBL1722209
TOLTERODINE TARTRATE 💊 Approved Drug
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💊 Approved Drug
Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.O=C(O)C(O)C(O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1722209 |
| Name | TOLTERODINE TARTRATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | TWHNMSJGYKMTRB-VEIFNGETSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL1382 |
| Active Moiety | CHEMBL1382 |
10
Targets
11
Activities
3
Assay Types
0
PK Parameters
20
Publications
5
Known Names
2
Indications
2
Mechanisms
Molecular Properties
325.5
MW (Da)
5.34
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.74
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1998 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
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
Activity Summary
Ki 7 meas. best 8.41
EC50 3 meas. best 5.43
IC50 1 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 8.06 | 8.06 | 8.7 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 7.88 | 7.88 | 13.1 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 7.86 | 7.86 | 13.8 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 6.89 | 6.89 | 127.4 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 6.78 | 6.78 | 166.9 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 6.67 | 6.67 | 216.3 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 6.36 | 6.36 | 433.7 | 1 |
| CX3C chemokine receptor 1 CHEMBL4843 | EC50 | 5.43 | 5.43 | 3737.2 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 5.41 | 5.41 | 3910.0 | 1 |
| Free fatty acid receptor 4 CHEMBL5339 | EC50 | 5.36 | 5.36 | 4324.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5058564 | Fibroblast | 3 |
| - | 10.6019/CHEMBL5058564 | U2OS | 3 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 3 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 2 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 2 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 2 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 2 |
| - | 10.6019/CHEMBL4513141 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513141 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL5442687 | Glucose-dependent insulinotropic receptor | 1 |
Data from ChEMBL 36 via Core Engine