Compound Detail
CHEMBL5427383
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Basic Information
| ChEMBL ID | CHEMBL5427383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOWFDHJUVKICDD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5499804 |
| Active Moiety | CHEMBL5499804 |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
316.8
MW (Da)
3.00
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.89 | 5.045 | 1300.0 | 2 |
| Acetylcholinesterase CHEMBL2046266 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 4.09 | 4.09 | 81000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of recombinant Aedes aegypti AchE1 using acetylthiocholine iodide as ... | 37094110 |
| Acetylcholinesterase | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of recombinant Anopheles gambiae AchE1 using acetylthiocholine iodide... | 37094110 |
| Unchecked | IC50 | = | 63000.0 | nM | 4.2 | Inhibition of recombinant Anopheles gambiae AchE1 G122S mutant using acetylthioc... | 37094110 |
| Acetylcholinesterase | IC50 | = | 81000.0 | nM | 4.09 | Inhibition of recombinant human AchE using acetylthiocholine iodide as substrate... | 37094110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37094110 | 10.1021/acs.jmedchem.3c00234 | Acetylcholinesterase | 2 |
| 37094110 | 10.1021/acs.jmedchem.3c00234 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine