Compound Detail
CHEMBL5630831
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Basic Information
| ChEMBL ID | CHEMBL5630831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTBKPSGHUAXJJJ-GMTAPVOTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
1.30
ALogP
3
HBA
0
HBD
54.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL5763 | IC50 | 4.92 | 4.92 | 11970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 11970.0 | nM | 4.92 | Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pr... | 37224761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37224761 | 10.1016/j.ejmech.2023.115502 | Acetylcholinesterase | 1 |
| 37224761 | 10.1016/j.ejmech.2023.115502 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine