Compound Detail
CHEMBL162876
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Basic Information
| ChEMBL ID | CHEMBL162876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTHOZFHNKHDIEE-HPNDGRJYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
4.77
ALogP
4
HBA
2
HBD
84.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 7.21 | 7.21 | 61.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 6.51 | 6.51 | 306.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-beta | EC50 | = | 61.0 | nM | 7.21 | Transcriptional activity was evaluated in CV-1 cells transfected with expression... | 10052980 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 306.0 | nM | 6.51 | Transcriptional activity was evaluated in CV-1 cells transfected with expression... | 10052980 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 350.0 | nM | 6.46 | Transcriptional activity was evaluated in CV-1 cells transfected with expression... | 10052980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10052980 | 10.1021/jm980621r | Retinoic acid receptor RXR-alpha | 2 |
| 10052980 | 10.1021/jm980621r | Retinoic acid receptor RXR-beta | 2 |
| 10052980 | 10.1021/jm980621r | Retinoic acid receptor RXR-gamma | 2 |
Data from ChEMBL 36 via Core Engine