Compound Detail
CHEMBL92394
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Basic Information
| ChEMBL ID | CHEMBL92394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSUMJVKYPHTODI-FPIZNTTDSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
380.6
MW (Da)
6.74
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor beta CHEMBL2008 | EC50 | 6.09 | 6.09 | 809.0 | 1 |
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 5.75 | 5.75 | 1779.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 5.6 | 5.6 | 2520.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 5.57 | 5.57 | 2714.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor beta | EC50 | = | 809.0 | nM | 6.09 | Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR b... | - |
| Retinoic acid receptor gamma | EC50 | = | 1779.0 | nM | 5.75 | Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR g... | - |
| Retinoic acid receptor RXR-beta | EC50 | = | 2000.0 | nM | 5.7 | Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR beta | - |
| Retinoic acid receptor RXR-alpha | EC50 | = | 2520.0 | nM | 5.6 | Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alph... | - |
| Retinoic acid receptor RXR-gamma | EC50 | = | 2714.0 | nM | 5.57 | Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamm... | - |
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