Compound Detail
CHEMBL92284
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Basic Information
| ChEMBL ID | CHEMBL92284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCUYSUZEBJQJPS-YWRSBGDESA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
5.96
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.3
Ki 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-beta CHEMBL1870 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 7.89 | 7.89 | 13.0 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 6.84 | 6.84 | 144.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | Ki | = | 4.0 | nM | 8.4 | Inhibition of [3H]9-cis-RA binding to RXR alpha receptor | - |
| Retinoic acid receptor RXR-beta | Ki | = | 4.0 | nM | 8.4 | Inhibition of [3H]9-cis-RA binding to RXR beta receptor | - |
| Retinoic acid receptor RXR-alpha | EC50 | = | 5.0 | nM | 8.3 | Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alph... | - |
| Retinoic acid receptor RXR-gamma | Ki | = | 5.0 | nM | 8.3 | Inhibition of [3H]9-cis-RA binding to RXR gamma receptor | - |
| Retinoic acid receptor RXR-gamma | EC50 | = | 7.0 | nM | 8.15 | Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamm... | - |
| Retinoic acid receptor RXR-beta | EC50 | = | 13.0 | nM | 7.89 | Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR beta | - |
| Retinoic acid receptor gamma | EC50 | = | 144.0 | nM | 6.84 | Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR g... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10079-8 | Retinoic acid receptor alpha | 3 |
| - | 10.1016/S0960-894X(97)10079-8 | Retinoic acid receptor beta | 3 |
| - | 10.1016/S0960-894X(97)10079-8 | Retinoic acid receptor gamma | 3 |
| - | 10.1016/S0960-894X(97)10079-8 | Retinoic acid receptor RXR-alpha | 3 |
| - | 10.1016/S0960-894X(97)10079-8 | Retinoic acid receptor RXR-beta | 3 |
| - | 10.1016/S0960-894X(97)10079-8 | Retinoic acid receptor RXR-gamma | 3 |
Data from ChEMBL 36 via Core Engine