Compound Detail
CHEMBL163625
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Basic Information
| ChEMBL ID | CHEMBL163625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCOHBTMCODPNLQ-FCDQGJHFSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
4.96
ALogP
3
HBA
2
HBD
69.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.47
EC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 5.54 | 5.54 | 2894.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 5.53 | 5.53 | 2955.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL1870 | Ki | 5.47 | 5.47 | 3363.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | Ki | 5.37 | 5.37 | 4234.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | Ki | 5.3 | 5.3 | 5051.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-gamma | EC50 | = | 2894.0 | nM | 5.54 | Transcriptional activity was evaluated in CV-1 cells transfected with expression... | 10052980 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 2955.0 | nM | 5.53 | Transcriptional activity was evaluated in CV-1 cells transfected with expression... | 10052980 |
| Retinoic acid receptor RXR-beta | Ki | = | 3363.0 | nM | 5.47 | Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta... | 10052980 |
| Retinoic acid receptor RXR-alpha | Ki | = | 4234.0 | nM | 5.37 | Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alph... | 10052980 |
| Retinoic acid receptor RXR-gamma | Ki | = | 5051.0 | nM | 5.3 | 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