Compound Detail
CHEMBL569713
SCOPOLAMINE 💊 Approved Drug
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
💊 Approved Drug
CN1[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL569713 |
| Name | SCOPOLAMINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | STECJAGHUSJQJN-FWXGHANASA-N |
| Therapeutic | ✓ Yes |
12
Targets
31
Activities
3
Assay Types
7
PK Parameters
20
Publications
2
Known Names
13
Indications
1
Mechanisms
Molecular Properties
303.4
MW (Da)
0.92
ALogP
5
HBA
1
HBD
62.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1979 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 antagonist | ANTAGONIST | Muscarinic acetylcholine receptor M1 | ✓ | ✓ |
Indications
Motion Sickness Nausea Postoperative Nausea and Vomiting Postoperative Nausea and Vomiting Amyotrophic Lateral Sclerosis Bipolar Disorder Depressive Disorder Depressive Disorder, Major Pain Alzheimer Disease Dementia Phobia, Social Renal Colic
ATC Classification
A04AD01
scopolamine
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: ANTIEMETICS AND ANTINAUSEANTS
A04AD51
scopolamine, combinations
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: ANTIEMETICS AND ANTINAUSEANTS
N05CM05
scopolamine
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS
S01FA02
scopolamine
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS
Activity Summary
Ki 16 meas. best 10.1
IC50 11 meas. best 8.89
Kd 4 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | Ki | 10.1 | 10.1 | 0.1 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL2672 | Ki | 9.39 | 9.39 | 0.4 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 9.28 | 9.28 | 0.5 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Kd | 9.19 | 9.19 | 0.7 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Kd | 9.12 | 9.12 | 0.8 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.95 | 8.95 | 1.1 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 8.89 | 8.32 | 1.3 | 2 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 8.89 | 8.5767 | 1.3 | 3 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 8.76 | 8.5825 | 1.7 | 4 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 8.52 | 8.2483 | 3.0 | 6 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Kd | 8.52 | 8.52 | 3.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 8.4 | 8.2667 | 4.0 | 3 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 8.34 | 8.34 | 4.6 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 8.19 | 8.19 | 6.5 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 8.12 | 8.12 | 7.5 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 8.05 | 8.05 | 8.9 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 7.43 | 7.43 | 36.9 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Kd | 4.23 | 4.23 | 59160.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 15.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 16.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 16.0 | mL.min-1.kg-1 | Homo sapiens |
| F | 49.0 | % | Homo sapiens |
| KA | 135000000.0 | M-1 | Canis lupus familiaris |
| MRT | 3.2 | hr | Homo sapiens |
| T1/2 | 4.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine