Compound Detail
CHEMBL86893
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Basic Information
| ChEMBL ID | CHEMBL86893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUSIBKZXKHKYDB-PEZBUJJGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
6.29
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Retinoic acid receptor beta CHEMBL2008 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 1100.0 | nM | 5.96 | Effective concentration against RXR-alpha receptor | 8410972 |
| Retinoic acid receptor beta | EC50 | = | 1900.0 | nM | 5.72 | Effective concentration against Retinoic acid receptor beta | 8410972 |
| Retinoic acid receptor gamma | EC50 | = | 2700.0 | nM | 5.57 | Effective concentration against RAR-gamma receptor | 8410972 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor beta | 2 |
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor gamma | 2 |
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor RXR-alpha | 2 |
| 8410972 | 10.1021/jm00070a003 | Retinoic acid receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine