Compound Detail
CHEMBL5558226
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 | CHEMBL5558226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSMMDWRCUFTRDL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
4.27
ALogP
3
HBA
1
HBD
63.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.25
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha CHEMBL2061 | EC50 | 5.25 | 5.25 | 5600.0 | 1 |
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor RXR-alpha | EC50 | = | 5600.0 | nM | 5.25 | Agonist activity at Gal4-fused human RXRalpha transfected in HEK293T cells incub... | 39081058 |
| Nuclear receptor subfamily 4 group A member 2 | IC50 | = | 23000.0 | nM | 4.64 | Inverse agonist activity at Gal4-fused human full length Nurr1 LBD transfected i... | 39081058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39081058 | 10.1021/acs.jmedchem.4c01218 | Nuclear receptor subfamily 4 group A member 2 | 2 |
| 39081058 | 10.1021/acs.jmedchem.4c01218 | Retinoic acid receptor RXR-alpha | 1 |
| 39081058 | 10.1021/acs.jmedchem.4c01218 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine