Compound Detail
CHEMBL60745
EDROPHONIUM BROMIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL60745 |
| Name | EDROPHONIUM BROMIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAEPIUXAUPYIIJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1104 |
| Active Moiety | CHEMBL1104 |
3
Targets
7
Activities
2
Assay Types
3
PK Parameters
12
Publications
0
Known Names
Molecular Properties
166.2
MW (Da)
1.98
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.11
Ki 2 meas. best 8.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | Ki | 8.79 | 8.79 | 1.6 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 6.11 | 5.8733 | 779.8 | 3 |
| Cavia porcellus CHEMBL369 | IC50 | 5.56 | 5.56 | 2770.0 | 1 |
| Acetylcholinesterase CHEMBL4768 | IC50 | 5.27 | 5.27 | 5360.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 9.6 | mL.min-1.kg-1 | Homo sapiens |
| MRT | 1.9 | hr | Homo sapiens |
| T1/2 | 1.8 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Ki | = | 1.63 | nM | 8.79 | Inhibition constant determined against Acetylcholinesterase (AChE) receptor. | 9784091 |
| Acetylcholinesterase | IC50 | = | 780.0 | nM | 6.11 | Inhibitory activity against Acetylcholinesterase | 8978837 |
| Acetylcholinesterase | IC50 | = | 779.83 | nM | 6.11 | Inhibition acetylcholinesterase (AChE) enzyme. | 9435905 |
| Cavia porcellus | IC50 | = | 2770.0 | nM | 5.56 | In vitro potency in reversing vecuronium-induced block in guinea pig hemidiaphra... | 11755352 |
| Acetylcholinesterase | IC50 | = | 3960.0 | nM | 5.4 | In vitro inhibitory activity against human recombinant AChE | 11755352 |
| Acetylcholinesterase | IC50 | = | 5360.0 | nM | 5.27 | Inhibition of bovine AChE | 18479118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11755352 | 10.1016/s0960-894x(01)00703-x | Felis catus | 6 |
| 18426954 | 10.1124/dmd.108.020479 | ADMET | 4 |
| 16279781 | 10.1021/jm0503289 | Acetylcholinesterase | 2 |
| 9784091 | 10.1021/jm9810452 | Acetylcholinesterase | 1 |
| 11755352 | 10.1016/s0960-894x(01)00703-x | Acetylcholinesterase | 1 |
| 11755352 | 10.1016/s0960-894x(01)00703-x | Cavia porcellus | 1 |
| 8978837 | 10.1021/jm950771r | Acetylcholinesterase | 1 |
| 9873615 | 10.1016/s0960-894x(98)00484-3 | Butyrylcholinesterase | 1 |
| 9435905 | 10.1021/jm970488n | Acetylcholinesterase | 1 |
| 18479118 | 10.1021/jm701253t | Acetylcholinesterase | 1 |
| 21624500 | 10.1016/j.drudis.2011.05.007 | Hepatotoxicity | 1 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 1 |
Data from ChEMBL 36 via Core Engine