Compound Detail
CHEMBL509307
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Basic Information
| ChEMBL ID | CHEMBL509307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCPBCVTUBBBNJJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
4.96
ALogP
0
HBA
2
HBD
31.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL3201 | Kd | 9.72 | 9.72 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | Kd | = | 0.19 | nM | 9.72 | Binding affinity to AhR (unknown origin) assessed as dissociation constant | 36274276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19186062 | 10.1016/j.bmc.2008.12.072 | Aryl hydrocarbon receptor | 1 |
| 28406627 | 10.1021/acs.jmedchem.6b01593 | G-protein coupled receptor 84 | 1 |
| 36274276 | 10.1016/j.ejmech.2022.114845 | Aryl hydrocarbon receptor | 1 |
Data from ChEMBL 36 via Core Engine