Compound Detail
CHEMBL4863720
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4863720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOGWMBJTFZMJLA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
4.33
ALogP
3
HBA
1
HBD
63.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.87
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-beta CHEMBL1870 | EC50 | 4.87 | 4.87 | 13400.0 | 1 |
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 4.77 | 4.77 | 16900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-beta | EC50 | = | 13400.0 | nM | 4.87 | Agonist activity at human RXRbeta transfected in human HEK293T cells co-expressi... | 33793232 |
| Nuclear receptor subfamily 4 group A member 2 | IC50 | = | 14000.0 | nM | 4.85 | Inverse agonist activity at Gal4-fused human full length Nurr1 LBD transfected i... | 39081058 |
| Retinoic acid receptor RXR-alpha | EC50 | = | 16900.0 | nM | 4.77 | Agonist activity at human RXRalpha transfected in human HEK293T cells co-express... | 33793232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33793232 | 10.1021/acs.jmedchem.1c00235 | Retinoic acid receptor RXR-alpha | 2 |
| 33793232 | 10.1021/acs.jmedchem.1c00235 | Retinoic acid receptor RXR-beta | 2 |
| 39081058 | 10.1021/acs.jmedchem.4c01218 | Nuclear receptor subfamily 4 group A member 2 | 2 |
| 33793232 | 10.1021/acs.jmedchem.1c00235 | Retinoic acid receptor RXR-gamma | 1 |
| 39081058 | 10.1021/acs.jmedchem.4c01218 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine