Compound Detail
CHEMBL3677572
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COC(C)(C)CNC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC4CC4)sc3c2)cc1
Basic Information
| ChEMBL ID | CHEMBL3677572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUCFZGMALXUQTD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
622.8
MW (Da)
2.39
ALogP
9
HBA
3
HBD
174.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelial lipase CHEMBL5080 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Hepatic triacylglycerol lipase CHEMBL2127 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelial lipase | IC50 | = | 0.9 | nM | 9.05 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
| Hepatic triacylglycerol lipase | IC50 | = | 12.0 | nM | 7.92 | Biological Assay: Endothelial lipase (EL) and hepatic lipase (HL) activities wer... | - |
Data from ChEMBL 36 via Core Engine