Compound Detail
CHEMBL1688390
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Basic Information
| ChEMBL ID | CHEMBL1688390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRBXGVGBWIDBDC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
5.63
ALogP
4
HBA
1
HBD
62.7
PSA (Ų)
0.55
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 160.0 | nM | 6.8 | Agonist activity at RXRalpha transfected in human COS1 cells after 18 hrs by luc... | 24900241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900241 | 10.1021/ml100184k | Retinoic acid receptor RXR-alpha | 3 |
| 24900241 | 10.1021/ml100184k | Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha | 1 |
Data from ChEMBL 36 via Core Engine