Compound Detail
CHEMBL389979
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 | CHEMBL389979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNQJQTSRHDQFTL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
345.3
MW (Da)
2.94
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.0
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 | IC50 | = | 7943.28 | nM | 5.1 | Displacement of [N-methyl-3H]GW0438X from human PXR | 17215127 |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 10000.0 | nM | 5.0 | Antagonist activity at human PXR by transient transfection assay | 17215127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17215127 | 10.1016/j.bmc.2006.12.026 | Nuclear receptor subfamily 1 group I member 2 | 3 |
| 17215127 | 10.1016/j.bmc.2006.12.026 | Oxysterols receptor LXR-beta | 2 |
| 24239186 | 10.1016/j.bmcl.2013.10.054 | Nuclear receptor ROR-gamma | 2 |
Data from ChEMBL 36 via Core Engine