Compound Detail
CHEMBL2381069
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Basic Information
| ChEMBL ID | CHEMBL2381069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHUVJMZFLFMMLG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
5.57
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.60
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelial lipase CHEMBL2380190 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
| Hepatic triacylglycerol lipase CHEMBL2127 | IC50 | 5.87 | 5.87 | 1360.0 | 1 |
| Lipoprotein lipase CHEMBL2060 | IC50 | 5.77 | 5.77 | 1690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelial lipase | IC50 | = | 680.0 | nM | 6.17 | Inhibition of mouse EL expressed in HEK293 cells using PED-A1 as substrate by sp... | 23528297 |
| Hepatic triacylglycerol lipase | IC50 | = | 1360.0 | nM | 5.87 | Inhibition of human HL expressed in HEK293 cells using PED-A1 as substrate by sp... | 23528297 |
| Lipoprotein lipase | IC50 | = | 1690.0 | nM | 5.77 | Inhibition of human LPL expressed in HEK293 cells using PED-A1 as substrate by s... | 23528297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23528297 | 10.1016/j.bmcl.2013.02.113 | Mus musculus | 5 |
| 23528297 | 10.1016/j.bmcl.2013.02.113 | Endothelial lipase | 2 |
| 23528297 | 10.1016/j.bmcl.2013.02.113 | Lipoprotein lipase | 1 |
| 23528297 | 10.1016/j.bmcl.2013.02.113 | Plasma | 1 |
| 23528297 | 10.1016/j.bmcl.2013.02.113 | Hepatic triacylglycerol lipase | 1 |
Data from ChEMBL 36 via Core Engine