Compound Detail
CHEMBL5416736
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Basic Information
| ChEMBL ID | CHEMBL5416736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPXGIOSKMJWGJT-MKFPQRGTSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
566.8
MW (Da)
8.29
ALogP
6
HBA
2
HBD
85.2
PSA (Ų)
0.10
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.71
Ki 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pancreatic triacylglycerol lipase CHEMBL1812 | Ki | 5.89 | 5.89 | 1288.0 | 1 |
| Pancreatic triacylglycerol lipase CHEMBL1812 | IC50 | 5.71 | 5.71 | 1945.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pancreatic triacylglycerol lipase | Ki | = | 1288.0 | nM | 5.89 | Binding affinity to pancreatic lipase (unknown origin) assessed as inhibition co... | 38052378 |
| Pancreatic triacylglycerol lipase | IC50 | = | 1945.0 | nM | 5.71 | Inhibition of pancreatic lipase (unknown origin) by spectrophotometeric analysis | 38052378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38052378 | 10.1016/j.bmcl.2023.129574 | Pancreatic triacylglycerol lipase | 5 |
Data from ChEMBL 36 via Core Engine