Compound Detail
CHEMBL5277896
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 | CHEMBL5277896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCQGNUWOMLYNNG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
6.38
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 2 group E member 1 CHEMBL1961788 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 2 group E member 1 | EC50 | = | 200.0 | nM | 6.7 | Inverse agonist activity at TLX (unknown origin) | 34251209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34251209 | 10.1021/acs.jmedchem.1c00186 | Nuclear receptor subfamily 2 group E member 1 | 1 |
| 33895500 | 10.1016/j.ejmech.2021.113451 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine