Compound Detail
CHEMBL4757866
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Basic Information
| ChEMBL ID | CHEMBL4757866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCHUGHUFISDYLY-HKOYGPOVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
445.6
MW (Da)
6.74
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.21
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pancreatic triacylglycerol lipase CHEMBL1687677 | IC50 | 5.68 | 5.68 | 2090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pancreatic triacylglycerol lipase | IC50 | = | 2090.0 | nM | 5.68 | Inhibition of porcine pancreatic lipase preincubated for 10 mins followed by 4-M... | 33214035 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33214035 | 10.1016/j.bmc.2020.115853 | Pancreatic triacylglycerol lipase | 1 |
Data from ChEMBL 36 via Core Engine