Compound Detail
CHEMBL263872
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CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c2)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL263872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKVXRXCNQNNVCW-FMQUCBEESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
722.1
MW (Da)
12.02
ALogP
4
HBA
0
HBD
55.6
PSA (Ų)
0.12
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | EC50 | 4.46 | 4.46 | 35100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | EC50 | = | 35100.0 | nM | 4.46 | 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