Compound Detail
CHEMBL98142
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Basic Information
| ChEMBL ID | CHEMBL98142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOYWDYIPQNDPMQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
5.92
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | Kd | 6.57 | 6.57 | 269.0 | 1 |
| Retinoic acid receptor RXR-beta CHEMBL4047 | Kd | 6.43 | 6.43 | 371.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL4402 | Kd | 6.15 | 6.15 | 704.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | Kd | = | 269.0 | nM | 6.57 | Inhibition of [3H]9-cis-RA binding to baculovirus expressed retinoid receptor RX... | 8071941 |
| Retinoic acid receptor RXR-beta | Kd | = | 371.0 | nM | 6.43 | Inhibition of [3H]9-cis-RA binding to baculovirus expressed retinoid receptor RX... | 8071941 |
| Retinoic acid receptor RXR-gamma | Kd | = | 704.0 | nM | 6.15 | Inhibition of [3H]9-cis-RA binding to baculovirus expressed retinoid receptor RX... | 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