Compound Detail
CHEMBL3422848
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Basic Information
| ChEMBL ID | CHEMBL3422848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBQATDIMBVLPRB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.51
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pancreatic triacylglycerol lipase CHEMBL1687677 | IC50 | 4.25 | 4.25 | 56400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pancreatic triacylglycerol lipase | IC50 | = | 56400.0 | nM | 4.25 | Inhibition of porcine pancreatic lipase using p-nitrophenylbutyrate as substrate... | 25935644 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25935644 | 10.1016/j.bmcl.2015.04.045 | Pancreatic triacylglycerol lipase | 2 |
| 31255927 | 10.1016/j.ejmech.2019.06.034 | RAW264.7 | 1 |
| 37683361 | 10.1016/j.ejmech.2023.115791 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine