Compound Detail
CHEMBL309173
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Basic Information
| ChEMBL ID | CHEMBL309173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHHYWELXELLDTG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.6
MW (Da)
5.32
ALogP
4
HBA
1
HBD
41.6
PSA (Ų)
0.63
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.58 | 5.58 | 2652.0 | 1 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 5.58 | 5.58 | 2620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 2620.0 | nM | 5.58 | Inhibition of acetylcholinesterase (AChE) | 8057278 |
| Acetylcholinesterase | IC50 | = | 2652.0 | nM | 5.58 | Inhibition of AChE | 20053484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057278 | 10.1021/jm00041a007 | Acetylcholinesterase | 1 |
| 20053484 | 10.1016/j.ejmech.2009.12.038 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine