Compound Detail
CHEMBL5396102
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Basic Information
| ChEMBL ID | CHEMBL5396102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEGGWNHJDIVNLG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
4.75
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pancreatic triacylglycerol lipase CHEMBL1812 | IC50 | 4.92 | 4.92 | 12040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pancreatic triacylglycerol lipase | IC50 | = | 12040.0 | nM | 4.92 | 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