Compound Detail
CHEMBL3677562
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COCCS(=O)(=O)C(C(=O)NCc1cc(C(C)C)no1)c1nc2ccc(-c3ccccc3)cc2s1
Basic Information
| ChEMBL ID | CHEMBL3677562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFCIABYWOHTXJM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
4.49
ALogP
8
HBA
1
HBD
111.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 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 | 7.34 | 7.34 | 45.9 | 1 |
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 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
| Endothelial lipase | IC50 | = | 45.9 | nM | 7.34 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
Data from ChEMBL 36 via Core Engine