Compound Detail
CHEMBL43833
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Basic Information
| ChEMBL ID | CHEMBL43833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZUIXDDSOLQKNK-YOQJXIMRSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
314.5
MW (Da)
5.99
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.72
IC50 1 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor gamma CHEMBL4177 | EC50 | 6.72 | 6.72 | 190.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL3084 | EC50 | 6.66 | 6.66 | 220.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL3084 | IC50 | 6.06 | 6.06 | 868.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor gamma | EC50 | = | 190.0 | nM | 6.72 | Transcriptional activation in CV-1 cells expressing retinoic A receptor RAR gamm... | 9572893 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 220.0 | nM | 6.66 | Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alph... | 9572893 |
| Retinoic acid receptor RXR-alpha | IC50 | = | 868.0 | nM | 6.06 | Inhibition of binding to retinoid X receptor RXR alpha | 9572893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9572893 | 10.1021/jm970635h | NON-PROTEIN TARGET | 6 |
| 9572893 | 10.1021/jm970635h | Retinoic acid receptor alpha | 2 |
| 9572893 | 10.1021/jm970635h | Retinoic acid receptor beta | 2 |
| 9572893 | 10.1021/jm970635h | Retinoic acid receptor gamma | 2 |
| 9572893 | 10.1021/jm970635h | Retinoic acid receptor RXR-alpha | 2 |
| 9572893 | 10.1021/jm970635h | Unchecked | 2 |
| 9572893 | 10.1021/jm970635h | HL-60 | 1 |
| 9572893 | 10.1021/jm970635h | NB-4 | 1 |
Data from ChEMBL 36 via Core Engine