Compound Detail
CHEMBL4437751
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
O=C(CNC(=O)C(c1nc2ccc(-c3ccc(F)nc3)cc2s1)S(=O)(=O)Cc1ccccc1)NC1CC1
Basic Information
| ChEMBL ID | CHEMBL4437751 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLHZIKCWBUWLQU-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
538.6
MW (Da)
3.55
ALogP
7
HBA
2
HBD
118.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatic triacylglycerol lipase CHEMBL2127 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Endothelial lipase CHEMBL5080 | IC50 | 7.6 | 7.395 | 25.0 | 2 |
| Endothelial lipase CHEMBL2380190 | IC50 | 7.03 | 7.03 | 94.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatic triacylglycerol lipase | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human hepatic lipase expressed in African green monkey COS7 cells ... | 31176700 |
| Endothelial lipase | IC50 | = | 25.0 | nM | 7.6 | Inhibition of human endothelial lipase derived from human HT1080 cell conditione... | 31176700 |
| Endothelial lipase | IC50 | = | 65.0 | nM | 7.19 | Inhibition of human endothelial lipase using D31-POPC-HDL as substrate incubated... | 31176700 |
| Endothelial lipase | IC50 | = | 94.0 | nM | 7.03 | Inhibition of mouse endothelial lipase expressed in HEK293F cells using D31-POPC... | 31176700 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31176700 | 10.1016/j.bmcl.2019.05.048 | Endothelial lipase | 3 |
| 31176700 | 10.1016/j.bmcl.2019.05.048 | Hepatic triacylglycerol lipase | 1 |
| 31176700 | 10.1016/j.bmcl.2019.05.048 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine