Compound Detail
CHEMBL420244
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Basic Information
| ChEMBL ID | CHEMBL420244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITMUPSFMXVHHMX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
4.20
ALogP
5
HBA
1
HBD
70.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 7.73 | 7.73 | 18.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 5.2 | nM | 8.28 | In vitro concentration required to inhibit [3H]estradiol binding to human estrog... | 15125923 |
| Estrogen receptor beta | IC50 | = | 18.5 | nM | 7.73 | In vitro concentration required to inhibit [3H]estradiol binding to human estrog... | 15125923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15125923 | 10.1016/j.bmcl.2004.03.077 | Estrogen receptor | 1 |
| 15125923 | 10.1016/j.bmcl.2004.03.077 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine