Compound Detail
CHEMBL3677543
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CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cccc(OC(F)F)c3)cc2s1
Basic Information
| ChEMBL ID | CHEMBL3677543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPSIMTSHVSWYSP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
519.6
MW (Da)
2.06
ALogP
8
HBA
2
HBD
145.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelial lipase CHEMBL5080 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| Hepatic triacylglycerol lipase CHEMBL2127 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelial lipase | IC50 | = | 2.8 | nM | 8.55 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
| Hepatic triacylglycerol lipase | IC50 | = | 3.0 | nM | 8.52 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
Data from ChEMBL 36 via Core Engine