Compound Detail
CHEMBL387188
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 | CHEMBL387188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRHPZPXUMGBOHN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.8
MW (Da)
3.25
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4768 | IC50 | 5.36 | 5.305 | 4380.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 4380.0 | nM | 5.36 | Inhibition of bovine erythrocyte AChE after 45 mins | 17154513 |
| Acetylcholinesterase | IC50 | = | 5684.0 | nM | 5.25 | Inhibition of bovine erythrocyte AChE | 17154513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17154513 | 10.1021/jm060945c | Acetylcholinesterase | 3 |
| 17154513 | 10.1021/jm060945c | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine