Compound Detail
CHEMBL307513
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 | CHEMBL307513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTVLWARKUSTOKZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.6
MW (Da)
6.11
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.88 | 5.88 | 1330.0 | 1 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 5.88 | 5.88 | 1330.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1330.0 | nM | 5.88 | Inhibition concentration against rat acetylcholinesterase | 7932538 |
| Acetylcholinesterase | IC50 | = | 1330.0 | nM | 5.88 | Inhibition of acetylcholinesterase (AChE) | 8057278 |
| Acetylcholinesterase | IC50 | = | 1330.0 | nM | 5.88 | Inhibition of AChE | 20053484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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