Compound Detail
CHEMBL4646273
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Basic Information
| ChEMBL ID | CHEMBL4646273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGYBLMVBSSQZRI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
4.78
ALogP
2
HBA
1
HBD
37.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 9.59 | 9.59 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | EC50 | = | 0.26 | nM | 9.59 | Agonist activity at AhR in human HepG2 cells assessed as induction of CYP1A1 exp... | 31952965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31952965 | 10.1016/j.bmcl.2020.126959 | Aryl hydrocarbon receptor | 11 |
| 31952965 | 10.1016/j.bmcl.2020.126959 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine