Compound Detail
CHEMBL5433310
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Basic Information
| ChEMBL ID | CHEMBL5433310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXSLBPRABAFXAF-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
4.22
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.85
Kd 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-gamma CHEMBL2004 | Kd | 5.22 | 5.22 | 6000.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-gamma | Kd | = | 6000.0 | nM | 5.22 | Binding affinity to human RXRgamma LBD and measured for 180 sec by ITC analysis | 36533416 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 14000.0 | nM | 4.85 | Agonist activity at human GAL4-fused RXRgamma LBD expressed in human HEK293T cel... | 36533416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Retinoic acid receptor RXR-gamma | 3 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Retinoic acid receptor RXR-beta | 2 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Unchecked | 2 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Retinoic acid receptor RXR-alpha | 2 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Thyroid hormone receptor alpha | 1 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Thyroid hormone receptor beta | 1 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Retinoic acid receptor alpha | 1 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Retinoic acid receptor beta | 1 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Retinoic acid receptor gamma | 1 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Peroxisome proliferator-activated receptor alpha | 1 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Peroxisome proliferator-activated receptor gamma | 1 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Peroxisome proliferator-activated receptor delta | 1 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Vitamin D3 receptor | 1 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Nuclear receptor subfamily 1 group I member 2 | 1 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Nuclear receptor subfamily 1 group I member 3 | 1 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Oxysterols receptor LXR-alpha | 1 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Oxysterols receptor LXR-beta | 1 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Bile acid receptor | 1 |
Data from ChEMBL 36 via Core Engine