Compound Detail
CHEMBL2110181
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 | CHEMBL2110181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAQPJCDULHJGLW-DAFNUICNSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
5.44
ALogP
3
HBA
1
HBD
58.9
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.59
Ki 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-gamma CHEMBL2004 | Ki | 6.62 | 6.62 | 238.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 6.59 | 6.59 | 254.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 6.42 | 6.42 | 377.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 6.42 | 6.42 | 384.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | Ki | 6.41 | 6.41 | 394.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-gamma | Ki | = | 238.0 | nM | 6.62 | Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamm... | 10052980 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 254.0 | nM | 6.59 | Transcriptional activity was evaluated in CV-1 cells transfected with expression... | 10052980 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 384.0 | nM | 6.42 | Transcriptional activity was evaluated in CV-1 cells transfected with expression... | 10052980 |
| Retinoic acid receptor RXR-beta | EC50 | = | 377.0 | nM | 6.42 | Transcriptional activity was evaluated in CV-1 cells transfected with expression... | 10052980 |
| Retinoic acid receptor RXR-alpha | Ki | = | 394.0 | nM | 6.41 | Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alph... | 10052980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10052980 | 10.1021/jm980621r | Retinoic acid receptor RXR-alpha | 2 |
| 10052980 | 10.1021/jm980621r | Retinoic acid receptor RXR-beta | 2 |
| 10052980 | 10.1021/jm980621r | Retinoic acid receptor RXR-gamma | 2 |
Data from ChEMBL 36 via Core Engine