Compound Detail
CHEMBL2337793
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Basic Information
| ChEMBL ID | CHEMBL2337793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCXBVGNDRYQVJO-GRSHGNNSSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
5.75
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.77
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Kd 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | Kd | 5.62 | 5.62 | 2380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | IC50 | = | 2400.0 | nM | 5.62 | Displacement of [3H]-9-cis-RA from RXRalpha (unknown origin) by liquid scintilla... | 23434637 |
| Retinoic acid receptor RXR-alpha | Kd | = | 2380.0 | nM | 5.62 | Inhibition of 9-cis-retinoic acid competition binding to RXRalpha LBD (unknown o... | 30634084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23434637 | 10.1016/j.ejmech.2013.01.012 | Retinoic acid receptor RXR-alpha | 5 |
| 34118723 | 10.1016/j.ejmech.2021.113542 | Peroxisome proliferator-activated receptor gamma | 4 |
| 23434637 | 10.1016/j.ejmech.2013.01.012 | HCT-116 | 1 |
| 23434637 | 10.1016/j.ejmech.2013.01.012 | ZR-75-1 | 1 |
| 30634084 | 10.1016/j.ejmech.2018.12.036 | Retinoic acid receptor RXR-alpha | 1 |
Data from ChEMBL 36 via Core Engine