Compound Detail
CHEMBL4217941
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 | CHEMBL4217941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSYQKTYWCBAARW-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
4.60
ALogP
7
HBA
0
HBD
70.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.23
EC50 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
| No relevant target CHEMBL2362975 | EC50 | 7.64 | 7.64 | 23.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.43 | 4.43 | 37120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 5.87 | nM | 8.23 | Inhibition of rat brain AChE using acetylthiocholine iodide as substrate by spec... | 29089261 |
| No relevant target | EC50 | = | 23.0 | nM | 7.64 | Antioxidant activity assessed as DPPH radical scavenging activity by spectrophot... | 29089261 |
| No relevant target | IC50 | = | 37120.0 | nM | 4.43 | Anti-glycosylation activity using BSA assessed as inhibition of AGE formation me... | 29089261 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29089261 | 10.1016/j.bmc.2017.09.012 | Mus musculus | 11 |
| 29089261 | 10.1016/j.bmc.2017.09.012 | Acetylcholinesterase | 3 |
| 29089261 | 10.1016/j.bmc.2017.09.012 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine