Compound Detail
CHEMBL116859
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Basic Information
| ChEMBL ID | CHEMBL116859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVSWRFRXKFKGRJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
5.53
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.81
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 6.28 | 6.28 | 530.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-gamma | EC50 | = | 530.0 | nM | 6.28 | Effective concentrations against Retinoic acid receptor RXR-gamma | 7650690 |
| Retinoic acid receptor RXR-beta | EC50 | = | 1900.0 | nM | 5.72 | Effective concentrations against Retinoic acid receptor RXR-beta | 7650690 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 2500.0 | nM | 5.6 | Effective concentration against Retinoic acid receptor RXR-alpha | 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 |
| 7650690 | 10.1021/jm00017a021 | Retinoic acid receptor RXR-gamma | 1 |
Data from ChEMBL 36 via Core Engine