Compound Detail
CHEMBL318916
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL318916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDJVSSMSKVUAQT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
4.97
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 5.7 | 5.7 | 2019.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL4047 | EC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL4402 | EC50 | 5.66 | 5.66 | 2191.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 2019.0 | nM | 5.7 | Effective concentration against retinoid receptor isoform (RXR alpha) expressed ... | 8071941 |
| Retinoic acid receptor RXR-beta | EC50 | = | 2200.0 | nM | 5.66 | Effective concentration against retinoid receptor isoform (RXR beta) expressed i... | 8071941 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 2191.0 | nM | 5.66 | Effective concentration against retinoid receptor isoform (RXR gamma) expressed ... | 8071941 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8071941 | 10.1021/jm00044a014 | Retinoic acid receptor alpha | 2 |
| 8071941 | 10.1021/jm00044a014 | Retinoic acid receptor beta | 2 |
| 8071941 | 10.1021/jm00044a014 | Retinoic acid receptor gamma | 2 |
| 8071941 | 10.1021/jm00044a014 | Retinoic acid receptor RXR-alpha | 2 |
| 8071941 | 10.1021/jm00044a014 | Retinoic acid receptor RXR-beta | 2 |
| 8071941 | 10.1021/jm00044a014 | Retinoic acid receptor RXR-gamma | 2 |
Data from ChEMBL 36 via Core Engine