Compound Detail
CHEMBL2251240
SCOPOLAMINE HYDROBROMIDE 🧪 Phase III
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🧪 Phase III
Br.CN1[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12.O.O.O
Basic Information
| ChEMBL ID | CHEMBL2251240 |
| Name | SCOPOLAMINE HYDROBROMIDE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | LACQPOBCQQPVIT-SEYKEWMNSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL569713 |
| Active Moiety | CHEMBL569713 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
13
Publications
20
Known Names
5
Indications
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 |
| Chirality | Single Enantiomer |
Indications
Abdominal Pain Infections Motion Sickness Pain Sialorrhea
Activity Summary
Ki 2 meas. best 9.15
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor DM1 CHEMBL2366467 | Ki | 9.15 | 9.055 | 0.7 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor DM1 | Ki | = | 0.7 | nM | 9.15 | Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillatio... | 17319687 |
| Muscarinic acetylcholine receptor DM1 | Ki | = | 1.1 | nM | 8.96 | Displacement of [3H]QNB from Drosophila melanogaster mAChR by scintillation coun... | 17319687 |
| Plasmodium falciparum | IC50 | = | 7943.28 | nM | 5.1 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... | 19734910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17319687 | 10.1021/jf0631934 | Musca domestica | 10 |
| 561845 | 10.1021/jm00220a005 | Rattus norvegicus | 4 |
| 1710653 | 10.1021/np50073a012 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 17319687 | 10.1021/jf0631934 | Muscarinic acetylcholine receptor DM1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 19734910 | 10.1038/nchembio.215 | Plasmodium falciparum | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 561845 | 10.1021/jm00220a005 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine