Compound Detail
CHEMBL5567170
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CCc1ccc(C(=O)N(Cc2cccc(C)c2)c2ccc(CC(=O)NCc3ccc4c(c3)OCO4)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5567170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKMVXGRUVIWMLE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
5.99
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | IC50 | 5.86 | 5.86 | 1370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | IC50 | = | 1370.0 | nM | 5.86 | 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 | 2 |
Data from ChEMBL 36 via Core Engine