Compound Detail
CHEMBL5419377
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 | CHEMBL5419377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRNQGIMGJSDTMI-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
4.69
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.4
Kd 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | EC50 | 7.4 | 7.28 | 40.0 | 2 |
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | Kd | 6.85 | 6.85 | 140.0 | 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 | EC50 | = | 40.0 | nM | 7.4 | Agonist activity at full length human Nurr1 transfected in HEK293T cells co-tran... | 37256819 |
| Nuclear receptor subfamily 4 group A member 2 | EC50 | = | 70.0 | nM | 7.16 | Agonist activity at human Nurr1 transfected in HEK293T cells co-transfected with... | 37256819 |
| Nuclear receptor subfamily 4 group A member 2 | Kd | = | 140.0 | nM | 6.85 | Binding affinity to recombinant N-terminal His6-tagged human Nurr1 LBD (362 to 5... | 37256819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37256819 | 10.1021/acs.jmedchem.3c00485 | Nuclear receptor subfamily 4 group A member 2 | 7 |
| 37256819 | 10.1021/acs.jmedchem.3c00485 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine