Compound Detail
CHEMBL5597246
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Basic Information
| ChEMBL ID | CHEMBL5597246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQDNAMSCIAQGKI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
2.74
ALogP
3
HBA
1
HBD
58.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 9.64 | 9.64 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | EC50 | = | 0.227 | nM | 9.64 | Agonist activity at human AHR stably tranfected in HEK293-T-REx cells co-express... | 39015266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39015266 | 10.1021/acsmedchemlett.4c00262 | Aryl hydrocarbon receptor | 1 |
Data from ChEMBL 36 via Core Engine