Compound Detail
CHEMBL5821040
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CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)N[C@H]3CCC[C@H]3C(=O)O)cc2F)C1
Basic Information
| ChEMBL ID | CHEMBL5821040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYAIXNAUIXKELE-GGPKGHCWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
3.65
ALogP
6
HBA
2
HBD
101.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 2 CHEMBL5853 | IC50 | 7.18 | 7.18 | 66.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 2 | IC50 | = | 66.6 | nM | 7.18 | In Vitro DGAT2 Assay: For determination of IC50 values, the reactions were carri... | - |
| Diacylglycerol O-acyltransferase 2 | IC50 | = | 66.6 | nM | 7.18 | In Vitro DGAT2 Assay : For determination of IC50 values, the reactions were carr... | - |
Data from ChEMBL 36 via Core Engine