Compound Detail
CHEMBL5431873
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Basic Information
| ChEMBL ID | CHEMBL5431873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPNJHVGVFWCRNG-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
392.3
MW (Da)
4.67
ALogP
3
HBA
2
HBD
57.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.22
Kd 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | Kd | 5.8 | 5.8 | 1600.0 | 1 |
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | EC50 | 5.22 | 5.22 | 6000.0 | 1 |
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 | = | 1600.0 | nM | 5.8 | Binding affinity to Nurr1 LBD (unknown origin) assessed as dissociation constant... | 37751901 |
| Nuclear receptor subfamily 4 group A member 2 | EC50 | = | 6000.0 | nM | 5.22 | 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 | 3 |
Data from ChEMBL 36 via Core Engine