Compound Detail
CHEMBL5266566
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Basic Information
| ChEMBL ID | CHEMBL5266566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIHKFLQGYXDCJN-VQHVLOKHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
4.28
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2/Retinoic acid receptor RXR-alpha CHEMBL3885613 | EC50 | 9.1 | 9.1 | 0.8 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2/Retinoic acid receptor RXR-alpha | EC50 | = | 0.7943 | nM | 9.1 | Inhibition of Nurr1-RXRalpha (unknown origin) by BRET assay | 34251209 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 19.95 | nM | 7.7 | Inhibition of RXRalpha (unknown origin) by BRET assay | 34251209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34251209 | 10.1021/acs.jmedchem.1c00186 | Nuclear receptor subfamily 4 group A member 2/Retinoic acid receptor RXR-alpha | 2 |
| 34251209 | 10.1021/acs.jmedchem.1c00186 | Retinoic acid receptor RXR-alpha | 2 |
| 34251209 | 10.1021/acs.jmedchem.1c00186 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine