Compound Detail
CHEMBL457775
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Basic Information
| ChEMBL ID | CHEMBL457775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODGSTXCQFQIDED-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
4.08
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor beta | EC50 | = | 10.0 | nM | 8.0 | Activity at human RARbeta ligand binding domain expressed in COS7 cells co-trans... | 19058965 |
| Retinoic acid receptor gamma | EC50 | = | 10.0 | nM | 8.0 | Activity at human RARgamma ligand binding domain expressed in COS7 cells co-tran... | 19058965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19058965 | 10.1016/j.bmcl.2008.11.040 | Retinoic acid receptor alpha | 2 |
| 19058965 | 10.1016/j.bmcl.2008.11.040 | Retinoic acid receptor beta | 2 |
| 19058965 | 10.1016/j.bmcl.2008.11.040 | Retinoic acid receptor gamma | 2 |
| 19058965 | 10.1016/j.bmcl.2008.11.040 | Retinoic acid receptor RXR-alpha | 1 |
| 19058965 | 10.1016/j.bmcl.2008.11.040 | Retinoic acid receptor RXR-beta | 1 |
| 19058965 | 10.1016/j.bmcl.2008.11.040 | Retinoic acid receptor RXR-gamma | 1 |
Data from ChEMBL 36 via Core Engine