Compound Detail
CHEMBL4105380
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Basic Information
| ChEMBL ID | CHEMBL4105380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQTVYGWOQPHJKJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
2.77
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | IC50 | 5.09 | 5.09 | 8110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | IC50 | = | 8110.0 | nM | 5.09 | Antagonist activity at GAL4-DBD fused human FXR LBD expressed in HEK293T cells a... | 28235703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28235703 | 10.1016/j.ejmech.2017.02.037 | Mus musculus | 8 |
| 28235703 | 10.1016/j.ejmech.2017.02.037 | Bile acid receptor | 4 |
Data from ChEMBL 36 via Core Engine