Compound Detail
CHEMBL2179369
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Basic Information
| ChEMBL ID | CHEMBL2179369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWCSIELZWHDDDD-XHCCPWGMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
6.62
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.20
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hormone-sensitive lipase CHEMBL5582 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hormone-sensitive lipase | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of rat hormone sensitive lipase assessed as oleic acid release from [... | 25678014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33071055 | 10.1016/j.ejmech.2020.112908 | Mycobacterium tuberculosis H37Rv | 2 |
| 33071055 | 10.1016/j.ejmech.2020.112908 | Mycobacteroides abscessus | 2 |
| 23095026 | 10.1021/jm301216x | Gastric triacylglycerol lipase | 1 |
| 23095026 | 10.1021/jm301216x | Pancreatic lipase-related protein 2 | 1 |
| 23095026 | 10.1021/jm301216x | Pancreatic triacylglycerol lipase | 1 |
| 23095026 | 10.1021/jm301216x | Unchecked | 1 |
| 23095026 | 10.1021/jm301216x | Monoacylglycerol lipase | 1 |
| 23095026 | 10.1021/jm301216x | Cutinase 1 | 1 |
| 25678014 | 10.1016/j.bmc.2015.01.028 | Hormone-sensitive lipase | 1 |
| 33071055 | 10.1016/j.ejmech.2020.112908 | RAW264.7 | 1 |
| 33071055 | 10.1016/j.ejmech.2020.112908 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine