Compound Detail
CHEMBL32778
TRIMEDOXIME 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL32778 |
| Name | TRIMEDOXIME |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LJYGXPCCGGSATE-UHFFFAOYSA-P |
1
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
2
Known Names
Molecular Properties
286.3
MW (Da)
0.97
ALogP
4
HBA
2
HBD
72.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Kd 5 meas. best 4.32
IC50 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | Kd | 4.32 | 4.21 | 47800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | Kd | = | 47800.0 | nM | 4.32 | Reactivation of paraoxon-inhibited recombinant human AChE measured up to 10 mins... | 24704618 |
| Acetylcholinesterase | Kd | = | 62000.0 | nM | 4.21 | Binding affinity to paraoxon-human AChE complex | 23148598 |
| Acetylcholinesterase | Kd | = | 79000.0 | nM | 4.1 | Reactivation of tabun-inhibited human acetylcholinesterase assessed as dissociat... | 25453812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25453812 | 10.1016/j.bmcl.2014.10.055 | Acetylcholinesterase | 16 |
| 24704618 | 10.1016/j.ejmech.2014.03.044 | Acetylcholinesterase | 9 |
| 23148598 | 10.1021/jm3015519 | Acetylcholinesterase | 6 |
| 38665821 | 10.1039/d3md00628j | Acetylcholinesterase | 5 |
| 8182702 | 10.1021/jm00036a008 | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine