Compound Detail
CHEMBL599551
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Basic Information
| ChEMBL ID | CHEMBL599551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTEHSCMHCBKLIH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
4.01
ALogP
3
HBA
0
HBD
43.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor CHEMBL3201 | EC50 | 6.35 | 6.35 | 450.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor | EC50 | = | 450.0 | nM | 6.35 | Agonist activity at aryl hydrocarbon receptor in human MCF7 cells after 24 hrs C... | 20060304 |
| Aryl hydrocarbon receptor | EC50 | = | 450.0 | nM | 6.35 | Agonist activity at AhR in human MCF-7 cells assessed as increase of CYP1A1-depe... | 21344906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20060304 | 10.1016/j.bmc.2009.12.036 | Aryl hydrocarbon receptor | 1 |
| 20060304 | 10.1016/j.bmc.2009.12.036 | No relevant target | 1 |
| 20060304 | 10.1016/j.bmc.2009.12.036 | MCF7 | 1 |
| 21344906 | 10.1021/jm101356p | No relevant target | 1 |
| 21344906 | 10.1021/jm101356p | Aryl hydrocarbon receptor | 1 |
Data from ChEMBL 36 via Core Engine