Compound Detail
CHEMBL4577903
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CN(C)C(=O)c1ccc(-c2ccc3nc(C(c4nnc(CNS(N)(=O)=O)o4)S(=O)(=O)Cc4ccccc4)sc3c2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL4577903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJHPWLJWLANJOG-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
661.2
MW (Da)
3.70
ALogP
10
HBA
2
HBD
178.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelial lipase CHEMBL5080 | IC50 | 8.0 | 6.34 | 10.0 | 3 |
| Hepatic triacylglycerol lipase CHEMBL2127 | IC50 | 6.41 | 6.41 | 391.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelial lipase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing D... | 30613337 |
| Hepatic triacylglycerol lipase | IC50 | = | 391.0 | nM | 6.41 | Inhibition of recombinant human HL expressed in COS7 cells using PED-A1 containi... | 30613337 |
| Endothelial lipase | IC50 | = | 1190.0 | nM | 5.92 | Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing D... | 30613337 |
| Endothelial lipase | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing D... | 30613337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30613337 | 10.1021/acsmedchemlett.8b00424 | Endothelial lipase | 3 |
| 30613337 | 10.1021/acsmedchemlett.8b00424 | Hepatic triacylglycerol lipase | 1 |
Data from ChEMBL 36 via Core Engine