Compound Detail
CHEMBL2018212
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 | CHEMBL2018212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVEBPTNPJPLARC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
2.69
ALogP
6
HBA
2
HBD
106.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of electric eel AChE by Ellman's method | 22472693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22472693 | 10.1016/j.bmcl.2012.03.046 | Acetylcholinesterase | 2 |
| 22472693 | 10.1016/j.bmcl.2012.03.046 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine