Compound Detail
CHEMBL3199523
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Basic Information
| ChEMBL ID | CHEMBL3199523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBRMKSTVHDPHOJ-SFQUDFHCSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
323.8
MW (Da)
3.00
ALogP
3
HBA
0
HBD
63.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 5.33 | 5.055 | 4689.4 | 2 |
| Estrogen receptor CHEMBL206 | IC50 | 4.99 | 4.99 | 10284.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 4689.44 | nM | 5.33 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
| Estrogen receptor | IC50 | = | 10284.76 | nM | 4.99 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
| Estrogen receptor beta | IC50 | = | 16533.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
Data from ChEMBL 36 via Core Engine