Compound Detail
CHEMBL457271
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Basic Information
| ChEMBL ID | CHEMBL457271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGZJDOMWASTSDR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.9
MW (Da)
5.24
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 7.31 | 6.7 | 49.0 | 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 | = | 49.0 | nM | 7.31 | Agonist activity at human pregnane X receptor expressed in HGPXR reporter cells | 18304819 |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 809.0 | nM | 6.09 | 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 | Nuclear receptor subfamily 1 group I member 2 | 2 |
Data from ChEMBL 36 via Core Engine