Compound Detail
CHEMBL4536805
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CC1(Cc2nnc(C(c3nc4ccc(-c5ccccc5)cc4s3)S(C)(=O)=O)o2)NC(=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4536805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NENGVIVEEOLDAA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
2.62
ALogP
9
HBA
2
HBD
144.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatic triacylglycerol lipase CHEMBL2127 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Endothelial lipase CHEMBL5080 | IC50 | 6.8 | 6.61 | 160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatic triacylglycerol lipase | IC50 | = | 53.0 | nM | 7.28 | Inhibition of recombinant human HL expressed in COS7 cells using PED-A1 containi... | 30613337 |
| Endothelial lipase | IC50 | = | 160.0 | nM | 6.8 | Inhibition of endothelial lipase in human HT1080 cells using PED-A1 containing D... | 30613337 |
| Endothelial lipase | IC50 | = | 380.0 | nM | 6.42 | 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