Compound Detail
CHEMBL4167506
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Basic Information
| ChEMBL ID | CHEMBL4167506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJCRLXKNLWNPRJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
3.50
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 5.18 | 5.18 | 6600.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 4.61 | 4.61 | 24800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 4300.0 | nM | 5.37 | Transactivation of human Gal4-fused RXRalpha LBD expressed in HEK293T cells afte... | 29901398 |
| Retinoic acid receptor RXR-beta | EC50 | = | 6600.0 | nM | 5.18 | Transactivation of human Gal4-fused RXRbeta LBD expressed in HEK293T cells after... | 29901398 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 24800.0 | nM | 4.61 | Transactivation of human Gal4-fused RXRgamma LBD expressed in HEK293T cells afte... | 29901398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29901398 | 10.1021/acs.jmedchem.8b00494 | Retinoic acid receptor RXR-alpha | 2 |
| 29901398 | 10.1021/acs.jmedchem.8b00494 | Retinoic acid receptor RXR-beta | 2 |
| 29901398 | 10.1021/acs.jmedchem.8b00494 | Retinoic acid receptor RXR-gamma | 2 |
Data from ChEMBL 36 via Core Engine