Compound Detail
CHEMBL233484
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CCCN(C(=O)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc1Cl)c1cccc(C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL233484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXSYMQGQTUQXLF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
601.9
MW (Da)
8.76
ALogP
5
HBA
1
HBD
92.9
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | EC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | EC50 | = | 2100.0 | nM | 5.68 | Agonistic activity at FXR in HEK293 cells by GAL4 transactivation activity | 17292610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17292610 | 10.1016/j.bmc.2007.01.046 | Bile acid receptor | 2 |
Data from ChEMBL 36 via Core Engine