Compound Detail
CHEMBL463678
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Basic Information
| ChEMBL ID | CHEMBL463678 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRGZMWLWLHSDHZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
433.6
MW (Da)
5.43
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 9.15 | 8.625 | 0.7 | 2 |
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 | = | 0.7 | nM | 9.15 | Agonist activity at human pregnane X receptor expressed in HGPXR reporter cells | 18304819 |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 8.04 | nM | 8.1 | Protection of human pregnane X receptor against proteolytic digestion in presenc... | 18304819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18304819 | 10.1016/j.bmc.2008.02.020 | Hepatocyte | 8 |
| 18304819 | 10.1016/j.bmc.2008.02.020 | Nuclear receptor subfamily 1 group I member 2 | 2 |
Data from ChEMBL 36 via Core Engine