Compound Detail
CHEMBL308962
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 | CHEMBL308962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDPGWLDAXDUDLE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
506.7
MW (Da)
8.41
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 2.5 | nM | 8.6 | Concentration that causes 50% inhibition of Acetylcholinesterase (AChE) using ra... | 12014965 |
| Cholinesterase | IC50 | = | 3.3 | nM | 8.48 | Concentration that causes 50% inhibition of Butyrylcholinesterase (BChE) using h... | 12014965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12014965 | 10.1021/jm010308g | Acetylcholinesterase | 1 |
| 12014965 | 10.1021/jm010308g | Cholinesterase | 1 |
| 12014965 | 10.1021/jm010308g | Unchecked | 1 |
| 17158047 | 10.1016/j.bmcl.2006.11.022 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine