Compound Detail
CHEMBL4460999
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
N#CC(C(=O)NCC(=O)NC1CC1)c1nc2ccc(-c3ccc(NC(=O)OCc4ccccc4)cc3)cc2s1
Basic Information
| ChEMBL ID | CHEMBL4460999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOERFPPVXQXYQZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
539.6
MW (Da)
4.71
ALogP
7
HBA
3
HBD
133.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatic triacylglycerol lipase CHEMBL2127 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Endothelial lipase CHEMBL5080 | IC50 | 9.0 | 8.05 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatic triacylglycerol lipase | IC50 | = | 0.8 | nM | 9.1 | Inhibition of hepatic lipase (unknown origin) | 31519373 |
| Endothelial lipase | IC50 | = | 1.0 | nM | 9.0 | Inhibition of endothelial lipase (unknown origin) | 31519373 |
| Endothelial lipase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of endothelial lipase in human serum | 31519373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31519373 | 10.1016/j.bmcl.2019.126673 | Endothelial lipase | 2 |
| 31519373 | 10.1016/j.bmcl.2019.126673 | Hepatic triacylglycerol lipase | 1 |
Data from ChEMBL 36 via Core Engine