Compound Detail
CHEMBL113975
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Basic Information
| ChEMBL ID | CHEMBL113975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUYWERXMXNLIPK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
396.6
MW (Da)
5.70
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.72
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 7.13 | 7.13 | 74.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 74.0 | nM | 7.13 | Effective concentration against Retinoic acid receptor RXR-alpha | 7650690 |
| Retinoic acid receptor RXR-beta | EC50 | = | 180.0 | nM | 6.75 | Effective concentrations against Retinoic acid receptor RXR-beta | 7650690 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7650690 | 10.1021/jm00017a021 | Retinoic acid receptor RXR-alpha | 2 |
| 7650690 | 10.1021/jm00017a021 | Retinoic acid receptor alpha | 1 |
| 7650690 | 10.1021/jm00017a021 | Retinoic acid receptor beta | 1 |
| 7650690 | 10.1021/jm00017a021 | Retinoic acid receptor RXR-beta | 1 |
| 7650690 | 10.1021/jm00017a021 | Retinoic acid receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine