Compound Detail
CHEMBL106837
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Basic Information
| ChEMBL ID | CHEMBL106837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNVNYVWRFXGLRO-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
5.96
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.74
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.55
Kd 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | Kd | 6.75 | 6.75 | 176.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL4047 | EC50 | 6.55 | 6.55 | 280.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL4402 | Kd | 6.55 | 6.55 | 283.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL4047 | Kd | 6.54 | 6.54 | 291.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL4402 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | Kd | = | 176.0 | nM | 6.75 | Ability to bind directly to Retinoic acid receptor RXR-alpha was evaluated in a ... | 7636877 |
| Retinoic acid receptor RXR-beta | EC50 | = | 280.0 | nM | 6.55 | Ability to activate gene expression at Retinoic acid receptor RXR-beta was evalu... | 7636877 |
| Retinoic acid receptor RXR-gamma | Kd | = | 283.0 | nM | 6.55 | Binding affinity to Retinoic acid receptor RXR-gamma was evaluated in a competit... | 7636877 |
| Retinoic acid receptor RXR-beta | Kd | = | 291.0 | nM | 6.54 | Binding affinity to Retinoic acid receptor RXR-beta was determined in a competit... | 7636877 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 300.0 | nM | 6.52 | Ability to activate gene expression at Retinoic acid receptor RXR-alpha was eval... | 7636877 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 500.0 | nM | 6.3 | Ability to activate gene expression at Retinoic acid receptor RXR-gamma was eval... | 7636877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636877 | 10.1021/jm00016a018 | Retinoic acid receptor RXR-alpha | 2 |
| 7636877 | 10.1021/jm00016a018 | Retinoic acid receptor RXR-beta | 2 |
| 7636877 | 10.1021/jm00016a018 | Retinoic acid receptor RXR-gamma | 2 |
Data from ChEMBL 36 via Core Engine