Compound Detail
CHEMBL5397808
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Basic Information
| ChEMBL ID | CHEMBL5397808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRYHKRVCUCVUHN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
3.90
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 1600.0 | nM | 5.8 | Agonist activity at human GAL4-fused RXRalpha LBD expressed in human HEK293T cel... | 36533416 |
| Retinoic acid receptor RXR-beta | EC50 | = | 2900.0 | nM | 5.54 | Agonist activity at human GAL4-fused RXRbeta LBD expressed in human HEK293T cell... | 36533416 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 11000.0 | nM | 4.96 | 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-alpha | 2 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Retinoic acid receptor RXR-beta | 2 |
| 36533416 | 10.1021/acs.jmedchem.2c01266 | Retinoic acid receptor RXR-gamma | 2 |
Data from ChEMBL 36 via Core Engine