Compound Detail
CHEMBL5570321
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COc1ccc(S(=O)(=O)Nc2ccc(CN(C(=O)c3ccco3)C3CCCCC3)c(N(C)C)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL5570321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXGGSKRTNBUFRJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
5.13
ALogP
6
HBA
1
HBD
92.1
PSA (Ų)
0.43
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | IC50 | = | 11600.0 | nM | 4.94 | Antagonist activity against human FXR transfected in HEK293T cells co-transfecte... | 38043493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38043493 | 10.1016/j.ejmech.2023.115992 | Bile acid receptor | 1 |
Data from ChEMBL 36 via Core Engine