Compound Detail
CHEMBL3672652
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
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3cccc(N4CCCC4)c3)cc2s1
Basic Information
| ChEMBL ID | CHEMBL3672652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDYYGEHARABTCA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
522.7
MW (Da)
2.05
ALogP
8
HBA
2
HBD
139.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatic triacylglycerol lipase CHEMBL2127 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Endothelial lipase CHEMBL5080 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatic triacylglycerol lipase | IC50 | = | 1.0 | nM | 9.0 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
| Endothelial lipase | IC50 | = | 1.2 | nM | 8.92 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
Data from ChEMBL 36 via Core Engine