Compound Detail
CHEMBL5190861
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Basic Information
| ChEMBL ID | CHEMBL5190861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPYOCBVCWHCXFU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
369.0
MW (Da)
3.16
ALogP
3
HBA
0
HBD
44.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 9.57 | 9.57 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | EC50 | = | 0.27 | nM | 9.57 | Agonist activity at AhR in human recombinant HepG2-Lucia AhR cell incubated for ... | 35123295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35123295 | 10.1016/j.ejmech.2022.114122 | ADMET | 2 |
| 35123295 | 10.1016/j.ejmech.2022.114122 | No relevant target | 2 |
| 35123295 | 10.1016/j.ejmech.2022.114122 | Aryl hydrocarbon receptor | 1 |
Data from ChEMBL 36 via Core Engine