Compound Detail
CHEMBL5269184
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Basic Information
| ChEMBL ID | CHEMBL5269184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWDIEYIGZGXXJY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
3.72
ALogP
7
HBA
2
HBD
104.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 6.05 | 6.05 | 900.0 | 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 | EC50 | = | 900.0 | nM | 6.05 | Agonist activity at human PXR in human HepG2 cells co-expressing luciferase gene... | 36480704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36480704 | 10.1021/acs.jmedchem.2c01640 | Nuclear receptor subfamily 1 group I member 2 | 5 |
Data from ChEMBL 36 via Core Engine