Compound Detail
CHEMBL4804047
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Basic Information
| ChEMBL ID | CHEMBL4804047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODOIDIKDWZDOBW-QVIHXGFCSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
6.08
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen-related receptor gamma CHEMBL4245 | IC50 | 7.02 | 7.02 | 96.0 | 2 |
| Steroid hormone receptor ERR2 CHEMBL3751 | IC50 | 5.45 | 5.45 | 3564.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.45 | 5.45 | 3564.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.23 | 5.23 | 5940.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen-related receptor gamma | IC50 | = | 96.0 | nM | 7.02 | Binding Assay: ERRγ: The arylethene derivative of the present invention was sequ... | - |
| Estrogen-related receptor gamma | IC50 | = | 96.0 | nM | 7.02 | Binding Assay: In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, ... | - |
| Unchecked | IC50 | = | 3564.0 | nM | 5.45 | Binding Assay: ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha... | - |
| Steroid hormone receptor ERR2 | IC50 | = | 3564.0 | nM | 5.45 | Binding Assay: In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, ... | - |
| Estrogen receptor | IC50 | = | 5940.0 | nM | 5.23 | Binding Assay: ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha... | - |
| Estrogen receptor | IC50 | = | 5940.0 | nM | 5.23 | Binding Assay: In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, ... | - |
Data from ChEMBL 36 via Core Engine