Compound Detail
CHEMBL1115
PYRIDOSTIGMINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1115 |
| Name | PYRIDOSTIGMINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | RVOLLAQWKVFTGE-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
3
Targets
5
Activities
2
Assay Types
8
PK Parameters
20
Publications
3
Known Names
7
Indications
Molecular Properties
181.2
MW (Da)
0.57
ALogP
2
HBA
0
HBD
33.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1955 |
| Availability | Prescription |
| Chirality | Achiral |
Indications
Myasthenia Gravis Fibromyalgia HIV Infections Hypotension, Orthostatic Muscular Atrophy, Spinal Muscular Atrophy, Spinal Diabetes Mellitus
ATC Classification
N07AA02
pyridostigmine
Level 1: NERVOUS SYSTEM
Level 2: OTHER NERVOUS SYSTEM DRUGS
Activity Summary
Ki 3 meas. best 5.46
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Acetylcholinesterase CHEMBL4780 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
| Cholinesterase CHEMBL1914 | Ki | 5.46 | 5.46 | 3500.0 | 1 |
| Acetylcholinesterase CHEMBL4768 | Ki | 4.71 | 4.71 | 19700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.4 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 9.6 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 1.0 | - | Homo sapiens |
| Fu | 1.0 | - | Homo sapiens |
| MRT | 1.8 | hr | Homo sapiens |
| T1/2 | 1.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 50.0 | nM | 7.3 | Concentration required to inhibit hydrolytic activity of bovine erythrocyte acet... | 2033583 |
| Acetylcholinesterase | IC50 | = | 82.0 | nM | 7.09 | Inhibition of Torpedo californica eel AChE using acetylthiocholine/DTNB as subst... | - |
| Cholinesterase | Ki | = | 3500.0 | nM | 5.46 | Inhibition of anticholinesterase activity by their ability to inactivate human s... | 2738887 |
| Acetylcholinesterase | Ki | = | 19700.0 | nM | 4.71 | Inhibitory activity against Acetylcholinesterase (AChE) | 11831902 |
Literature References
Data from ChEMBL 36 via Core Engine