Compound Detail
CHEMBL5267458
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O=C(O)c1cc(F)c2nc(N3C[C@@H]4C[C@H]3C[C@H]4OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)sc2c1
Basic Information
| ChEMBL ID | CHEMBL5267458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSPXCFUQDFOUPS-CKJXQJPGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
589.6
MW (Da)
6.75
ALogP
8
HBA
1
HBD
97.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-binding protein FXR2 CHEMBL5169136 | EC50 | 9.46 | 9.46 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-binding protein FXR2 | EC50 | = | 0.35 | nM | 9.46 | Agonist activity at FXR2 in human HepG2 cells | 34889100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34889100 | 10.1021/acs.jmedchem.1c01017 | RNA-binding protein FXR2 | 1 |
Data from ChEMBL 36 via Core Engine