Compound Detail
CHEMBL1834811
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Basic Information
| ChEMBL ID | CHEMBL1834811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBOVWBBJDJPNSN-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
5.35
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by s... | 21939219 |
| Acetylcholinesterase | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate... | 21939219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21939219 | 10.1021/np200308j | Acetylcholinesterase | 3 |
Data from ChEMBL 36 via Core Engine