Compound Detail
CHEMBL5592836
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CC1(NC(=O)c2cn3cc(Oc4ncc(F)cc4OCC(F)(F)F)ccc3n2)CCS(=O)(=O)CC1
Basic Information
| ChEMBL ID | CHEMBL5592836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFSIWCZLSQBOBU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
516.5
MW (Da)
3.30
ALogP
8
HBA
1
HBD
111.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 2 CHEMBL5853 | IC50 | 9.4 | 9.4 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 2 | IC50 | = | 0.4 | nM | 9.4 | Inhibition of human DGAT2 extracted from baculovirus infected Sf9 cell membrane ... | 39140039 |
| Diacylglycerol O-acyltransferase 2 | IC50 | = | 0.4 | nM | 9.4 | Inhibition of human DGAT2 expressed in expressed in baculovirus infected Sf9 ins... | 39140060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39140039 | 10.1021/acsmedchemlett.4c00286 | Diacylglycerol O-acyltransferase 2 | 1 |
| 39140060 | 10.1021/acsmedchemlett.4c00329 | Diacylglycerol O-acyltransferase 2 | 1 |
Data from ChEMBL 36 via Core Engine