Compound Detail
CHEMBL1621597
IPRATROPIUM 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1621597 |
| Name | IPRATROPIUM |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | OEXHQOGQTVQTAT-BHIXFJMTSA-N |
| Therapeutic | ✓ Yes |
4
Targets
4
Activities
2
Assay Types
3
PK Parameters
20
Publications
3
Known Names
2
Indications
Molecular Properties
332.5
MW (Da)
2.85
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1986 |
| Availability | Prescription |
| Chirality | Racemic |
Indications
Pulmonary Disease, Chronic Obstructive Status Asthmaticus
Activity Summary
Ki 3 meas. best 9.1
EC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.92 | 8.92 | 1.2 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 8.68 | 8.68 | 2.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.25 | hr | Homo sapiens |
| T1/2 | 0.1567 | hr | Homo sapiens |
| T1/2 | 0.335 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 0.7943 | nM | 9.1 | Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membra... | 34142835 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 0.7943 | nM | 9.1 | Displacement of [3H]-N-methyl Scopolamine Chloride from human M2 receptor membra... | 34142835 |
| Unchecked | EC50 | = | 1.2 | nM | 8.92 | Activity at beta2 adrenoceptor/muscarinic M3 receptor in guinea pig trachea asse... | 26471092 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 2.11 | nM | 8.68 | Displacement of [3H]-Pirenzepine from human muscarinic M1 expressed in CHO-K1 ce... | 37027998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 3 |
| 34142835 | 10.1021/acs.jmedchem.1c00204 | Muscarinic acetylcholine receptor M3 | 3 |
| 23984907 | 10.1021/jm400966v | Solute carrier family 22 member 1 | 3 |
| 26471092 | 10.1016/j.bmcl.2015.10.008 | Canis familiaris | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| 36067397 | 10.1021/acs.jmedchem.2c01075 | Solute carrier family 22 member 3 | 2 |
| 26471092 | 10.1016/j.bmcl.2015.10.008 | Unchecked | 2 |
| 23984907 | 10.1021/jm400966v | Solute carrier family 22 member 2 | 2 |
| 22931300 | 10.1021/tx300075j | Cytochrome P450 3A4 | 2 |
| 22931300 | 10.1021/tx300075j | Liver microsomes | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 26471092 | 10.1016/j.bmcl.2015.10.008 | Muscarinic acetylcholine receptor M3 | 1 |
| 22931300 | 10.1021/tx300075j | Cytochrome P450 2D6 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 34142835 | 10.1021/acs.jmedchem.1c00204 | Muscarinic acetylcholine receptor M2 | 1 |
| 36067397 | 10.1021/acs.jmedchem.2c01075 | POU domain, class 2, transcription factor 1 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 1 |
| 37027998 | 10.1016/j.ejmech.2023.115285 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine