Compound Detail
CHEMBL114640
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Basic Information
| ChEMBL ID | CHEMBL114640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IONNZWGEVFITGF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
5.07
ALogP
4
HBA
1
HBD
66.3
PSA (Ų)
0.79
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 8.1 | 8.1 | 8.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 3.0 | nM | 8.52 | Inhibition of RXRalpha (unknown origin) | 34251209 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 8.0 | nM | 8.1 | Inhibition of RXRgamma (unknown origin) | 34251209 |
| Retinoic acid receptor RXR-beta | EC50 | = | 24.0 | nM | 7.62 | Inhibition of RXRbeta (unknown origin) | 34251209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12139443 | 10.1021/jm0255320 | HL-60 | 1 |
| 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