Compound Detail
CHEMBL5271031
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Basic Information
| ChEMBL ID | CHEMBL5271031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWEIKRQKZQBEQP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
2.93
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 9.67 | 9.67 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | EC50 | = | 0.214 | nM | 9.67 | Agonist activity at EGFP-tagged human AhR transfected in HEK293 cells assessed a... | 37312860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37312860 | 10.1021/acsmedchemlett.3c00177 | Aryl hydrocarbon receptor | 1 |
Data from ChEMBL 36 via Core Engine