Compound Detail
CHEMBL311017
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL311017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUEKQQFQMBNDTO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
4.55
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 10.0 | nM | 8.0 | Inhibition concentration against rat acetylcholinesterase | 7932538 |
| Acetylcholinesterase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of acetylcholinesterase (AChE) | 8057278 |
| Acetylcholinesterase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of AChE | 20053484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057278 | 10.1021/jm00041a007 | Rattus norvegicus | 8 |
| 7932538 | 10.1021/jm00045a020 | Acetylcholinesterase | 1 |
| 8057278 | 10.1021/jm00041a007 | Acetylcholinesterase | 1 |
| 20053484 | 10.1016/j.ejmech.2009.12.038 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine