Compound Detail
CHEMBL3682498
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CC(C)(C)OC(=O)c1ccc(-c2ccc3nc(C(C(=O)N[C@@H]4CCNC4=O)S(=O)(=O)Cc4ccccc4)sc3c2)cc1
Basic Information
| ChEMBL ID | CHEMBL3682498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOHGHTVBWMQQLN-RMVMEJTISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
605.7
MW (Da)
4.58
ALogP
8
HBA
2
HBD
131.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatic triacylglycerol lipase CHEMBL2127 | IC50 | 7.84 | 7.84 | 14.3 | 1 |
| Endothelial lipase CHEMBL5080 | IC50 | 7.77 | 7.77 | 17.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatic triacylglycerol lipase | IC50 | = | 14.3 | nM | 7.84 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
| Endothelial lipase | IC50 | = | 17.1 | nM | 7.77 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
Data from ChEMBL 36 via Core Engine