Compound Detail
CHEMBL5951774
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CCOc1ccccc1O[C@@H]1CCCN(c2ncc(C(=O)NCc3cc(OC)cc(C(=O)O)c3)cn2)C1
Basic Information
| ChEMBL ID | CHEMBL5951774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPYVNRUAACCXSA-OAQYLSRUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
3.56
ALogP
8
HBA
2
HBD
123.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 2 CHEMBL5853 | IC50 | 6.91 | 6.91 | 123.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol O-acyltransferase 2 | IC50 | = | 123.0 | nM | 6.91 | In Vitro DGAT2 Assay: For determination of IC50 values, the reactions were carri... | - |
| Diacylglycerol O-acyltransferase 2 | IC50 | = | 123.0 | nM | 6.91 | In Vitro DGAT2 Assay : For determination of IC50 values, the reactions were carr... | - |
Data from ChEMBL 36 via Core Engine