Compound Detail
CHEMBL196742
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Basic Information
| ChEMBL ID | CHEMBL196742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYJNCCMUFZBCJX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
5.12
ALogP
3
HBA
2
HBD
53.4
PSA (Ų)
0.54
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 6.68 | 6.68 | 211.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.74 | 5.74 | 1815.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 211.0 | nM | 6.68 | Binding affinity for human Estrogen receptor beta | 16098741 |
| Estrogen receptor | IC50 | = | 1815.0 | nM | 5.74 | Binding affinity for human Estrogen receptor alpha | 16098741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16098741 | 10.1016/j.bmcl.2005.07.008 | Estrogen receptor | 2 |
| 16098741 | 10.1016/j.bmcl.2005.07.008 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine