Compound Detail
CHEMBL5411787
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Basic Information
| ChEMBL ID | CHEMBL5411787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSTHTUXWDAZIDE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
361.2
MW (Da)
3.31
ALogP
6
HBA
1
HBD
71.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | EC50 | = | 2800.0 | nM | 5.55 | Agonist activity at AHR in human HepG2-Lucia AhR cells stably transfected with D... | 37348572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37348572 | 10.1016/j.bmcl.2023.129383 | Aryl hydrocarbon receptor | 1 |
Data from ChEMBL 36 via Core Engine