Compound Detail
CHEMBL179481
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Basic Information
| ChEMBL ID | CHEMBL179481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AISCLLWJTMIDPD-OWOJBTEDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
234.2
MW (Da)
4.27
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL4725 | Ki | 8.42 | 8.42 | 3.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | Ki | = | 3.8 | nM | 8.42 | Binding affinity for aryl hydrocarbon receptor (AhR) of rabbit liver cytosol inc... | 15634023 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15634023 | 10.1021/jm0498194 | Aryl hydrocarbon receptor | 1 |
| 15634023 | 10.1021/jm0498194 | Estrogen receptor | 1 |
| 15634023 | 10.1021/jm0498194 | A549 | 1 |
| 15634023 | 10.1021/jm0498194 | MCF7 | 1 |
| 15634023 | 10.1021/jm0498194 | T47D | 1 |
| 19481462 | 10.1016/j.bmc.2009.05.007 | SF-268 | 1 |
| 19481462 | 10.1016/j.bmc.2009.05.007 | NCI-H460 | 1 |
| 19481462 | 10.1016/j.bmc.2009.05.007 | MCF7 | 1 |
| - | 10.1007/s00044-007-9055-2 | Aryl hydrocarbon receptor | 1 |
Data from ChEMBL 36 via Core Engine