Compound Detail
CHEMBL5405956
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Basic Information
| ChEMBL ID | CHEMBL5405956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBRFKGNOALKLFA-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
376.3
MW (Da)
5.23
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.64
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.52
Kd 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | Kd | 5.82 | 5.82 | 1500.0 | 1 |
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | EC50 | 5.52 | 5.46 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2 | Kd | = | 1500.0 | nM | 5.82 | Binding affinity to Nurr1 LBD (unknown origin) assessed as dissociation constant... | 37751901 |
| Nuclear receptor subfamily 4 group A member 2 | EC50 | = | 3000.0 | nM | 5.52 | Agonist activity at Gal4-fused human full length Nurr1 transfected in human HEK2... | 37751901 |
| Nuclear receptor subfamily 4 group A member 2 | EC50 | = | 4000.0 | nM | 5.4 | Agonist activity at Gal4-fused human full length Nurr1 transfected in human HEK2... | 37751901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37751901 | 10.1021/acs.jmedchem.3c00852 | Nuclear receptor subfamily 4 group A member 2 | 11 |
| 37751901 | 10.1021/acs.jmedchem.3c00852 | Nuclear receptor subfamily 4immunitygroup A member 1 | 1 |
| 37751901 | 10.1021/acs.jmedchem.3c00852 | Nuclear receptor subfamily 4 group A member 3 | 1 |
| 37751901 | 10.1021/acs.jmedchem.3c00852 | Thyroid hormone receptor alpha | 1 |
| 37751901 | 10.1021/acs.jmedchem.3c00852 | Retinoic acid receptor alpha | 1 |
| 37751901 | 10.1021/acs.jmedchem.3c00852 | Nuclear receptor subfamily 1 group D member 1 | 1 |
| 37751901 | 10.1021/acs.jmedchem.3c00852 | Nuclear receptor ROR-gamma | 1 |
| 37751901 | 10.1021/acs.jmedchem.3c00852 | Vitamin D3 receptor | 1 |
| 37751901 | 10.1021/acs.jmedchem.3c00852 | Oxysterols receptor LXR-alpha | 1 |
| 37751901 | 10.1021/acs.jmedchem.3c00852 | Bile acid receptor | 1 |
| 37751901 | 10.1021/acs.jmedchem.3c00852 | Retinoic acid receptor RXR-alpha | 1 |
Data from ChEMBL 36 via Core Engine