Compound Detail
CHEMBL101712
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Basic Information
| ChEMBL ID | CHEMBL101712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEYIMBQHYPIFJN-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
415.3
MW (Da)
5.73
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.65
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.92
Kd 3 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | Kd | 6.98 | 6.98 | 105.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL4047 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL4047 | Kd | 6.82 | 6.82 | 150.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL4402 | Kd | 6.82 | 6.82 | 150.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL4402 | EC50 | 6.58 | 6.58 | 261.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 6.48 | 6.48 | 332.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | Kd | = | 105.0 | nM | 6.98 | Inhibition of [3H]9-cis-RA binding to baculovirus expressed retinoid receptor RX... | 8071941 |
| Retinoic acid receptor RXR-beta | EC50 | = | 120.0 | nM | 6.92 | Effective concentration against retinoid receptor isoform (RXR beta) expressed i... | 8071941 |
| Retinoic acid receptor RXR-beta | Kd | = | 150.0 | nM | 6.82 | Inhibition of [3H]9-cis-RA binding to baculovirus expressed retinoid receptor RX... | 8071941 |
| Retinoic acid receptor RXR-gamma | Kd | = | 150.0 | nM | 6.82 | Inhibition of [3H]9-cis-RA binding to baculovirus expressed retinoid receptor RX... | 8071941 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 261.0 | nM | 6.58 | Effective concentration against retinoid receptor isoform (RXR gamma) expressed ... | 8071941 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 332.0 | nM | 6.48 | Effective concentration against retinoid receptor isoform (RXR alpha) expressed ... | 8071941 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8071941 | 10.1021/jm00044a014 | Retinoic acid receptor alpha | 2 |
| 8071941 | 10.1021/jm00044a014 | Retinoic acid receptor beta | 2 |
| 8071941 | 10.1021/jm00044a014 | Retinoic acid receptor gamma | 2 |
| 8071941 | 10.1021/jm00044a014 | Retinoic acid receptor RXR-alpha | 2 |
| 8071941 | 10.1021/jm00044a014 | Retinoic acid receptor RXR-beta | 2 |
| 8071941 | 10.1021/jm00044a014 | Retinoic acid receptor RXR-gamma | 2 |
Data from ChEMBL 36 via Core Engine