Compound Detail
CHEMBL3677465
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COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)CCNC(=O)C(c2nc3ccc(-c4ccccc4)cc3s2)S(C)(=O)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL3677465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSZOHVWEPVRROO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
693.9
MW (Da)
5.21
ALogP
9
HBA
1
HBD
132.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatic triacylglycerol lipase CHEMBL2127 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Endothelial lipase CHEMBL5080 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatic triacylglycerol lipase | IC50 | = | 11.0 | nM | 7.96 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
| Endothelial lipase | IC50 | = | 80.0 | nM | 7.1 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
Data from ChEMBL 36 via Core Engine