Compound Detail
CHEMBL186144
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 | CHEMBL186144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLMBMROIKCDDBW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
424.6
MW (Da)
5.55
ALogP
4
HBA
0
HBD
35.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Acetylcholinesterase CHEMBL220 | Ki | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 8.0 | nM | 8.1 | Inhibitory activity against Acetylcholinesterase enzyme using human AChE assay | 15481986 |
| Acetylcholinesterase | Ki | = | 7.943 | nM | 8.1 | Binding affinity towards Acetylcholinesterase | 15481986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481986 | 10.1021/jm049695v | Acetylcholinesterase | 2 |
Data from ChEMBL 36 via Core Engine