Compound Detail
CHEMBL198794
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Basic Information
| ChEMBL ID | CHEMBL198794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEDSQOLKNJLVRX-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
324.5
MW (Da)
6.34
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor beta CHEMBL2008 | EC50 | 7.8 | 7.15 | 15.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor beta | EC50 | = | 15.85 | nM | 7.8 | Transcriptional activity against RARbeta2 | 16302793 |
| Retinoic acid receptor beta | EC50 | = | 15.85 | nM | 7.8 | Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay | 19239230 |
| Retinoic acid receptor beta | EC50 | = | 316.23 | nM | 6.5 | Transcriptional activity against RARbeta1 | 16302793 |
| Retinoic acid receptor beta | EC50 | = | 316.23 | nM | 6.5 | Activity at RARbeta1 expressed in mouse NIH3T3 cells by R-SAT assay | 19239230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16302793 | 10.1021/jm050891r | Retinoic acid receptor beta | 4 |
| 19239230 | 10.1021/jm801532e | Retinoic acid receptor beta | 4 |
Data from ChEMBL 36 via Core Engine