Compound Detail
CHEMBL3093405
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Basic Information
| ChEMBL ID | CHEMBL3093405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGTFFEIEMYKYNU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
259.2
MW (Da)
3.23
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelial lipase CHEMBL5080 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
| Hepatic triacylglycerol lipase CHEMBL2127 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelial lipase | IC50 | = | 1010.0 | nM | 6.0 | Inhibition of recombinant human endothelial lipase using bis-BODIPY-FL C11-PC as... | 24211162 |
| Hepatic triacylglycerol lipase | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of recombinant human hepatic lipase using bis-BODIPY-FL C11-PC as sub... | 24211162 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24211162 | 10.1016/j.bmc.2013.10.023 | Molecular identity unknown | 1 |
| 24211162 | 10.1016/j.bmc.2013.10.023 | Hepatic triacylglycerol lipase | 1 |
| 24211162 | 10.1016/j.bmc.2013.10.023 | Lipoprotein lipase | 1 |
| 24211162 | 10.1016/j.bmc.2013.10.023 | Endothelial lipase | 1 |
Data from ChEMBL 36 via Core Engine