Compound Detail
CHEMBL3677602
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Cc1cc2nc(C(C(=O)NCCS(N)(=O)=O)S(C)(=O)=O)sc2cc1-c1ccc(C(=O)OC(C)(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL3677602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWCHTNSPNIFYNH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
567.7
MW (Da)
2.72
ALogP
9
HBA
2
HBD
162.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelial lipase CHEMBL5080 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Hepatic triacylglycerol lipase CHEMBL2127 | IC50 | 8.29 | 8.29 | 5.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelial lipase | IC50 | = | 1.7 | nM | 8.77 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
| Hepatic triacylglycerol lipase | IC50 | = | 5.1 | nM | 8.29 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
Data from ChEMBL 36 via Core Engine