Compound Detail
CHEMBL4277640
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Basic Information
| ChEMBL ID | CHEMBL4277640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGJXYGZASVZJGU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
296.8
MW (Da)
3.80
ALogP
4
HBA
0
HBD
46.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Retinoic acid receptor RXR-gamma CHEMBL2004 | EC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-beta | EC50 | = | 16000.0 | nM | 4.8 | Agonist activity at human Gal4-fused RXRbeta expressed in HEK293T cells after 12... | 30151082 |
| Retinoic acid receptor RXR-gamma | EC50 | = | 17000.0 | nM | 4.77 | Agonist activity at human Gal4-fused RXRgamma expressed in HEK293T cells after 1... | 30151082 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 19000.0 | nM | 4.72 | Agonist activity at human Gal4-fused RXRalpha expressed in HEK293T cells after 1... | 30151082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30151082 | 10.1039/C8MD00134K | Retinoic acid receptor RXR-beta | 3 |
| 30151082 | 10.1039/C8MD00134K | Retinoic acid receptor RXR-alpha | 2 |
| 30151082 | 10.1039/C8MD00134K | Retinoic acid receptor RXR-gamma | 2 |
| 30151082 | 10.1039/C8MD00134K | Luciferin 4-monooxygenase | 1 |
Data from ChEMBL 36 via Core Engine