Compound Detail
CHEMBL3677475
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Cc1cc2nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC(C)C)sc2cc1-c1ccc(F)nc1
Basic Information
| ChEMBL ID | CHEMBL3677475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOCVILQYPMGSGK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
2.32
ALogP
8
HBA
2
HBD
149.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 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 |
|---|---|---|---|---|---|---|---|
| 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