Compound Detail
CHEMBL5273565
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Basic Information
| ChEMBL ID | CHEMBL5273565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEJCUDWNNDQGSJ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
4.18
ALogP
7
HBA
2
HBD
90.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | IC50 | 6.92 | 6.5967 | 120.0 | 3 |
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 | = | 120.0 | nM | 6.92 | Inverse agonist activity at human PXR in human HepG2 cells co-expressing lucifer... | 36480704 |
| Nuclear receptor subfamily 1 group I member 2 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of BODIPY FL vindoline binding to recombinant human GST-tagged PXR LB... | 36480704 |
| Nuclear receptor subfamily 1 group I member 2 | IC50 | = | 410.0 | nM | 6.39 | Antagonist activity at human PXR in human HepG2 cells co-expressing luciferase g... | 36480704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36480704 | 10.1021/acs.jmedchem.2c01640 | Nuclear receptor subfamily 1 group I member 2 | 7 |
Data from ChEMBL 36 via Core Engine