Compound Detail
CHEMBL5398399
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 | CHEMBL5398399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGKSJJKOSONHJU-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
218.2
MW (Da)
2.65
ALogP
3
HBA
1
HBD
59.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.77
Kd 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | EC50 | 5.77 | 5.725 | 1700.0 | 2 |
| Nuclear receptor subfamily 4 group A member 2 CHEMBL5002 | Kd | 5.62 | 5.62 | 2400.0 | 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 | = | 1700.0 | nM | 5.77 | Agonist activity at full length human Nurr1 transfected in HEK293T cells co-tran... | 37256819 |
| Nuclear receptor subfamily 4 group A member 2 | EC50 | = | 2100.0 | nM | 5.68 | Agonist activity at human Nurr1 transfected in HEK293T cells co-transfected with... | 37256819 |
| Nuclear receptor subfamily 4 group A member 2 | Kd | = | 2400.0 | nM | 5.62 | 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