Compound Detail
CHEMBL122823
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Basic Information
| ChEMBL ID | CHEMBL122823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPQYCEYLWVFLBS-FUJBVNLPSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
272.4
MW (Da)
4.97
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.26
Kd 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cellular retinoic acid-binding protein 1 CHEMBL3208 | Kd | 8.92 | 8.92 | 1.2 | 1 |
| Cellular retinoic acid-binding protein 2 CHEMBL4172 | Kd | 7.89 | 7.89 | 13.0 | 1 |
| Retinoic acid receptor alpha CHEMBL2792 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Cellular retinoic acid-binding protein 1 CHEMBL4945 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cellular retinoic acid-binding protein 1 | Kd | = | 1.2 | nM | 8.92 | Inhibition of [3H]ATRA binding to murine Cytoplasmic retinoic acid binding prote... | 8809153 |
| Cellular retinoic acid-binding protein 2 | Kd | = | 13.0 | nM | 7.89 | Inhibition of [3H]ATRA binding to murine Cytoplasmic retinoic acid binding prote... | 8809153 |
| Retinoic acid receptor alpha | IC50 | = | 55.0 | nM | 7.26 | Inhibition of [3H]ATRA binding to mouse Retinoic acid receptor RAR alpha | 8809153 |
| Cellular retinoic acid-binding protein 1 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of [3H]ATRA binding to chick skin Cytoplasmic retinoic acid binding p... | 8809153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8809153 | 10.1021/jm9603126 | Cellular retinoic acid-binding protein 1 | 3 |
| 8809153 | 10.1021/jm9603126 | Retinoic acid receptor RXR-alpha | 3 |
| 8809153 | 10.1021/jm9603126 | Retinoic acid receptor alpha | 2 |
| 8809153 | 10.1021/jm9603126 | Mus musculus | 2 |
| 8809153 | 10.1021/jm9603126 | Cellular retinoic acid-binding protein 2 | 1 |
Data from ChEMBL 36 via Core Engine