Compound Detail
CHEMBL5280414
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Basic Information
| ChEMBL ID | CHEMBL5280414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDVFJUSYLBAGDL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
5.29
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.77
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 7.54 | 7.54 | 29.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 7.01 | 7.01 | 98.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 6.63 | 6.63 | 232.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 29.0 | nM | 7.54 | Agonist activity at RXRalpha (unknown origin) | 34251209 |
| Retinoic acid receptor RXR-beta | EC50 | = | 98.0 | nM | 7.01 | Agonist activity at RXRbeta (unknown origin) | 34251209 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 232.0 | nM | 6.63 | Agonist activity at RXRgamma (unknown origin) | 34251209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34251209 | 10.1021/acs.jmedchem.1c00186 | Retinoic acid receptor RXR-alpha | 1 |
| 34251209 | 10.1021/acs.jmedchem.1c00186 | Retinoic acid receptor RXR-beta | 1 |
| 34251209 | 10.1021/acs.jmedchem.1c00186 | Retinoic acid receptor RXR-gamma | 1 |
Data from ChEMBL 36 via Core Engine