Compound Detail
CHEMBL351943
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Basic Information
| ChEMBL ID | CHEMBL351943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTLIDOPETXYPLT-ZZIIXHQDSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
6.47
ALogP
3
HBA
1
HBD
58.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.97
Ki 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | Ki | 7.04 | 7.04 | 91.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 6.97 | 6.97 | 106.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 6.94 | 6.94 | 116.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 6.91 | 6.91 | 124.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | Ki | 6.49 | 6.49 | 323.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | Ki | = | 21.0 | nM | 7.68 | Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alph... | 10052980 |
| Retinoic acid receptor RXR-beta | Ki | = | 91.0 | nM | 7.04 | Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta... | 10052980 |
| Retinoic acid receptor RXR-beta | EC50 | = | 106.0 | nM | 6.97 | Transcriptional activity was evaluated in CV-1 cells transfected with expression... | 10052980 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 116.0 | nM | 6.94 | Transcriptional activity was evaluated in CV-1 cells transfected with expression... | 10052980 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 124.0 | nM | 6.91 | Transcriptional activity was evaluated in CV-1 cells transfected with expression... | 10052980 |
| Retinoic acid receptor RXR-gamma | Ki | = | 323.0 | nM | 6.49 | Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamm... | 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