Compound Detail
CHEMBL6022184
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O=C(O)c1ccc(N2C[C@@H]3C[C@H]2C[C@H]3OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)c(F)c1F
Basic Information
| ChEMBL ID | CHEMBL6022184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUNSRKJSLWSPSE-PJSUUKDQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
535.4
MW (Da)
6.69
ALogP
5
HBA
1
HBD
75.8
PSA (Ų)
0.36
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile acid receptor CHEMBL2047 | EC50 | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile acid receptor | EC50 | = | 0.1 | nM | 10.0 | Binding Assay: The affinity of FXR ligands for the ligand binding domain of FXR ... | - |
Data from ChEMBL 36 via Core Engine