Compound Detail
CHEMBL4644322
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 | CHEMBL4644322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWIFZTUYOUJDQR-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
199.2
MW (Da)
0.85
ALogP
5
HBA
2
HBD
92.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.62 | 5.62 | 2420.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.74 | 4.48 | 18020.0 | 3 |
| Mesenteric artery CHEMBL4296533 | IC50 | 4.18 | 4.18 | 65765.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 2420.0 | nM | 5.62 | Antioxidant activity assessed as reduction in lipid peroxidation | 32527456 |
| Unchecked | IC50 | = | 18020.0 | nM | 4.74 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase | 32527456 |
| Unchecked | IC50 | = | 28890.0 | nM | 4.54 | Inhibition of rat intestinal maltase | 32527456 |
| Mesenteric artery | IC50 | = | 65765.78 | nM | 4.18 | Vasodilating activity in mesenteric artery (unknown origin) assessed as reductio... | 32527456 |
| Unchecked | IC50 | = | 68730.0 | nM | 4.16 | Inhibition of rat intestinal sucrase | 32527456 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32527456 | 10.1016/j.bmcl.2020.127277 | Mus musculus | 11 |
| 32527456 | 10.1016/j.bmcl.2020.127277 | No relevant target | 4 |
| 32527456 | 10.1016/j.bmcl.2020.127277 | Unchecked | 3 |
| 32527456 | 10.1016/j.bmcl.2020.127277 | Mesenteric artery | 2 |
Data from ChEMBL 36 via Core Engine