Compound Detail
CHEMBL4849511
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 | CHEMBL4849511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKFMOENKRGSXCW-YVLHZVERSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.16
ALogP
5
HBA
1
HBD
67.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Liver carboxylesterase CHEMBL3383 | IC50 | 5.49 | 5.49 | 3230.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.27 | 4.27 | 53300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Liver carboxylesterase | IC50 | = | 3230.0 | nM | 5.49 | Inhibition of porcine liver carboxylesterase using 4-NPA as substrate preincubat... | 33831780 |
| No relevant target | IC50 | = | 53300.0 | nM | 4.27 | Antioxidant activity assessed as decrease in ABTS radical cation scavenging acti... | 33831780 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33831780 | 10.1016/j.ejmech.2021.113385 | No relevant target | 2 |
| 33831780 | 10.1016/j.ejmech.2021.113385 | Liver carboxylesterase | 1 |
| 33831780 | 10.1016/j.ejmech.2021.113385 | Acetylcholinesterase | 1 |
| 33831780 | 10.1016/j.ejmech.2021.113385 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine