Compound Detail
CHEMBL339297
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Basic Information
| ChEMBL ID | CHEMBL339297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPUXQWSDBKIGCJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.38
ALogP
6
HBA
1
HBD
86.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hormone-sensitive lipase CHEMBL5582 | IC50 | 9.39 | 9.39 | 0.4 | 1 |
| Hormone-sensitive lipase CHEMBL3590 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Lipoprotein lipase CHEMBL2060 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Hepatic triacylglycerol lipase CHEMBL2127 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hormone-sensitive lipase | IC50 | = | 0.41 | nM | 9.39 | Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay | 18808096 |
| Hormone-sensitive lipase | IC50 | = | 23.0 | nM | 7.64 | Inhibition of hormone sensitive lipase (HSL). | 14711311 |
| Lipoprotein lipase | IC50 | = | 200.0 | nM | 6.7 | Compound was tested to inhibit lipoprotein lipase (LPL) | 14711311 |
| Hepatic triacylglycerol lipase | IC50 | = | 1800.0 | nM | 5.75 | Compound was tested to inhibit hepatic lipase (HL) | 14711311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14711311 | 10.1021/jm031004s | Hormone-sensitive lipase | 1 |
| 14711311 | 10.1021/jm031004s | Cholinesterase | 1 |
| 14711311 | 10.1021/jm031004s | Acetylcholinesterase | 1 |
| 14711311 | 10.1021/jm031004s | Pancreatic triacylglycerol lipase | 1 |
| 14711311 | 10.1021/jm031004s | Lipoprotein lipase | 1 |
| 14711311 | 10.1021/jm031004s | Hepatic triacylglycerol lipase | 1 |
| 18808096 | 10.1021/jm800718k | Hormone-sensitive lipase | 1 |
Data from ChEMBL 36 via Core Engine