Compound Detail
CHEMBL517712
ATROPINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL517712 |
| Name | ATROPINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | RKUNBYITZUJHSG-SPUOUPEWSA-N |
| Therapeutic | ✓ Yes |
26
Targets
141
Activities
4
Assay Types
13
PK Parameters
20
Publications
9
Known Names
20
Indications
3
Mechanisms
Molecular Properties
289.4
MW (Da)
1.93
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1960 |
| Availability | Prescription |
| Chirality | Racemic |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 antagonist | ANTAGONIST | Muscarinic acetylcholine receptor M3 | ✓ | ✓ |
| Muscarinic acetylcholine receptor M1 antagonist | ANTAGONIST | Muscarinic acetylcholine receptor M1 | ✓ | ✓ |
| Muscarinic acetylcholine receptor M2 antagonist | ANTAGONIST | Muscarinic acetylcholine receptor M2 | ✓ | ✓ |
Indications
Digestive System Diseases Mydriasis Poisoning Amblyopia Anisometropia Dwarfism, Pituitary Headache Myopia Myopia, Degenerative Pain Strabismus Amyotrophic Lateral Sclerosis Blood Coagulation Disorders Bradycardia Breast Neoplasms Heart Arrest Hemorrhage Hypospadias Organophosphate Poisoning Pneumonia, Ventilator-Associated
ATC Classification
A03BA01
atropine
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
S01FA01
atropine
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS
Activity Summary
Ki 94 meas. best 9.98
Kd 29 meas. best 9.2
IC50 17 meas. best 9.32
EC50 1 meas. best 9.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 9.98 | 9.1367 | 0.1 | 6 |
| Unchecked CHEMBL612545 | Ki | 9.92 | 8.5763 | 0.1 | 8 |
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Ki | 9.92 | 9.51 | 0.1 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL2672 | Ki | 9.7 | 9.16 | 0.2 | 2 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 9.68 | 9.2257 | 0.2 | 7 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 9.6 | 9.2556 | 0.2 | 9 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 9.59 | 9.215 | 0.3 | 6 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 9.52 | 9.3629 | 0.3 | 7 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | Ki | 9.49 | 9.005 | 0.3 | 6 |
| Acetylcholinesterase CHEMBL3198 | Ki | 9.46 | 9.305 | 0.3 | 2 |
| Muscarinic acetylcholine receptor M2 CHEMBL3197 | Ki | 9.46 | 9.305 | 0.3 | 2 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 9.46 | 8.61 | 0.3 | 16 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 9.36 | 9.13 | 0.4 | 5 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 9.32 | 8.84 | 0.5 | 3 |
| Muscarinic acetylcholine receptor M4 CHEMBL317 | Ki | 9.28 | 9.28 | 0.5 | 2 |
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Kd | 9.2 | 9.2 | 0.6 | 1 |
| Muscarinic acetylcholine receptors; M1 & M2 CHEMBL2095219 | Ki | 9.17 | 9.17 | 0.7 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 9.15 | 8.8583 | 0.7 | 6 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 9.13 | 9.13 | 0.7 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 9.11 | 8.98 | 0.8 | 4 |
| Muscarinic acetylcholine receptor M5 CHEMBL277 | Ki | 9.07 | 9.07 | 0.9 | 1 |
| Cavia porcellus CHEMBL369 | Kd | 9.05 | 8.932 | 0.9 | 5 |
| Muscarinic acetylcholine receptor CHEMBL2094109 | Kd | 9.05 | 8.95 | 0.9 | 6 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 9.04 | 9.04 | 0.9 | 1 |
| Trachea CHEMBL4296542 | EC50 | 9.01 | 9.01 | 1.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 8.98 | 8.98 | 1.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | Kd | 8.89 | 8.8325 | 1.3 | 4 |
| Rattus norvegicus CHEMBL376 | Kd | 8.89 | 8.81 | 1.3 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Kd | 8.89 | 8.89 | 1.3 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 8.87 | 8.785 | 1.3 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| Ileum CHEMBL613680 | Kd | 8.69 | 8.545 | 2.0 | 2 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 8.68 | 8.585 | 2.1 | 2 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Kd | 8.57 | 8.57 | 2.7 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 8.43 | 7.765 | 3.7 | 4 |
| Rattus norvegicus CHEMBL376 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.28 | 6.28 | 530.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 6.18 | 6.18 | 666.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.0 | 6.0 | 1012.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | IC50 | 5.87 | 5.87 | 1354.0 | 1 |
| Solute carrier family 22 member 1 CHEMBL5685 | IC50 | 4.91 | 4.91 | 12200.0 | 1 |
| Nicotinic acetylcholine receptor alpha 5 subunit CHEMBL2366408 | Ki | 4.49 | 4.49 | 32500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 7.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 7.6 | mL.min-1.kg-1 | Homo sapiens |
| F | 79.0 | % | Homo sapiens |
| Fu | 0.82 | - | - |
| Fu | 0.171 | - | - |
| Fu | 0.82 | - | Homo sapiens |
| Fu | 0.61 | - | Homo sapiens |
| Fu | 0.61 | - | Homo sapiens |
| KA | 167000000.0 | M-1 | Canis lupus familiaris |
| MRT | 7.2 | hr | Homo sapiens |
| T1/2 | 4.1 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine