Compound Detail
CHEMBL457272
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Basic Information
| ChEMBL ID | CHEMBL457272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QODQOVMTJKHGJR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
3.93
ALogP
6
HBA
1
HBD
107.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 6.37 | 6.37 | 428.0 | 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 | = | 428.0 | nM | 6.37 | Agonist activity at human pregnane X receptor expressed in HGPXR reporter cells | 18304819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18304819 | 10.1016/j.bmc.2008.02.020 | Nuclear receptor subfamily 1 group I member 2 | 1 |
Data from ChEMBL 36 via Core Engine