Compound Detail
CHEMBL5179114
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Basic Information
| ChEMBL ID | CHEMBL5179114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKCXVSBMMYPENO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
4.39
ALogP
5
HBA
0
HBD
44.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.96
Ki 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 6.96 | 6.96 | 110.0 | 1 |
| Aryl hydrocarbon receptor CHEMBL6099 | Ki | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | EC50 | = | 110.0 | nM | 6.96 | Agonist activity at AhR (unknown origin) transfected in human AZ-AHR reporter ce... | 35416668 |
| Aryl hydrocarbon receptor | Ki | = | 800.0 | nM | 6.1 | Displacement of [3H]TCDD from mouse AhR expressed in mouse Hepa1c1c7 cells cytos... | 35416668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35416668 | 10.1021/acs.jmedchem.2c00208 | Aryl hydrocarbon receptor | 18 |
Data from ChEMBL 36 via Core Engine