Compound Detail
CHEMBL5404594
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Basic Information
| ChEMBL ID | CHEMBL5404594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXHRNCFDIIEYII-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
416.3
MW (Da)
6.83
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pancreatic triacylglycerol lipase CHEMBL1812 | IC50 | 4.74 | 4.74 | 18270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pancreatic triacylglycerol lipase | IC50 | = | 18270.0 | nM | 4.74 | Negative allosteric modulator activity at human Pancreatic lipase using DDAO-ol ... | 37490786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37490786 | 10.1016/j.bmc.2023.117413 | Pancreatic triacylglycerol lipase | 1 |
Data from ChEMBL 36 via Core Engine