Compound Detail
CHEMBL4750416
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Basic Information
| ChEMBL ID | CHEMBL4750416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LANJLFOCGPBZLQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
290.2
MW (Da)
3.81
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 8.92 | 8.81 | 1.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | EC50 | = | 1.2 | nM | 8.92 | Agonist activity at AhR (unknown origin) | 36274276 |
| Aryl hydrocarbon receptor | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at AHR in human HepG2 cells incubated for 4.5 hrs by Luciferase... | 33582577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33582577 | 10.1016/j.ejmech.2021.113231 | Aryl hydrocarbon receptor | 1 |
| 36274276 | 10.1016/j.ejmech.2022.114845 | Aryl hydrocarbon receptor | 1 |
Data from ChEMBL 36 via Core Engine