Compound Detail
CHEMBL234371
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O=C(O)c1cccc(NC(=O)c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3-c3ccc4ccccc4c3)cc2Cl)c1
Basic Information
| ChEMBL ID | CHEMBL234371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFODZVYWAHZURL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
643.9
MW (Da)
9.65
ALogP
5
HBA
2
HBD
101.7
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | IC50 | 5.4 | 5.4 | 4000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of FXR in HEK293 cells in presence of CDCA by GAL4 transactivation ac... | 17292610 |
| Bile acid receptor | IC50 | = | 4000.0 | nM | 5.4 | Antagonist activity at FXR (unknown origin) | 26878262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17292610 | 10.1016/j.bmc.2007.01.046 | Bile acid receptor | 3 |
| 17292610 | 10.1016/j.bmc.2007.01.046 | Progesterone receptor | 1 |
| 26878262 | 10.1021/acs.jmedchem.5b00342 | Bile acid receptor | 1 |
Data from ChEMBL 36 via Core Engine