Compound Detail
CHEMBL5205870
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Basic Information
| ChEMBL ID | CHEMBL5205870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHIQLDKYIXLGLF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
215.3
MW (Da)
2.83
ALogP
4
HBA
0
HBD
30.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.56 | 4.56 | 27700.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.25 | 4.25 | 56200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate ... | 35870364 |
| Unchecked | IC50 | = | 27700.0 | nM | 4.56 | Inhibition of TNF-alpha production in LPS-stimulated human PBMC measured after 2... | 35870364 |
| Acetylcholinesterase | IC50 | = | 56200.0 | nM | 4.25 | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pre-... | 35870364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35870364 | 10.1016/j.ejmech.2022.114616 | Unchecked | 2 |
| 35870364 | 10.1016/j.ejmech.2022.114616 | Cholinesterase | 2 |
| 35870364 | 10.1016/j.ejmech.2022.114616 | Acetylcholinesterase | 2 |
Data from ChEMBL 36 via Core Engine