Compound Detail
CHEMBL3677564
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Basic Information
| ChEMBL ID | CHEMBL3677564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKUWDZXEVXLOIX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
3.68
ALogP
8
HBA
1
HBD
111.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatic triacylglycerol lipase CHEMBL2127 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Endothelial lipase CHEMBL5080 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatic triacylglycerol lipase | IC50 | = | 0.5 | nM | 9.3 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
| Endothelial lipase | IC50 | = | 4.9 | nM | 8.31 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
Data from ChEMBL 36 via Core Engine