Compound Detail
CHEMBL121810
GANSTIGMINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL121810 |
| Name | GANSTIGMINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ZOBDWFRKFSPCRB-UNMCSNQZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
2
Known Names
Molecular Properties
381.5
MW (Da)
4.16
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 3 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Acetylcholinesterase CHEMBL4780 | IC50 | 5.29 | 5.29 | 5120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 65.0 | nM | 7.19 | Ex vivo inhibition of human erythrocyte Acetylcholinesterase. | 12166941 |
| Cholinesterase | IC50 | = | 310.0 | nM | 6.51 | Ex vivo inhibition of human plasma Butyrylcholinesterase. | 12166941 |
| Acetylcholinesterase | IC50 | = | 5120.0 | nM | 5.29 | Inhibition of Torpedo californica AChE | 18479118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12166941 | 10.1021/jm010491d | Acetylcholinesterase | 1 |
| 12166941 | 10.1021/jm010491d | Cholinesterase | 1 |
| 12166941 | 10.1021/jm010491d | Cholinesterases; ACHE & BCHE | 1 |
| 18479118 | 10.1021/jm701253t | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine