Compound Detail
CHEMBL428926
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Basic Information
| ChEMBL ID | CHEMBL428926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGWRDFFACAHWMU-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
5.49
ALogP
6
HBA
1
HBD
76.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.72
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| Estrogen receptor beta CHEMBL242 | Ki | 8.39 | 8.39 | 4.1 | 1 |
| Ishikawa CHEMBL614649 | IC50 | 7.8 | 7.8 | 15.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | Ki | = | 1.89 | nM | 8.72 | Displacement of [3H]estradiol from human recombinant ERalpha | 17482463 |
| Estrogen receptor beta | Ki | = | 4.11 | nM | 8.39 | Displacement of [3H]estradiol from human recombinant ERbeta | 17482463 |
| Ishikawa | IC50 | = | 15.7 | nM | 7.8 | Inhibition of estrogen stimulation in human Ishikawa cells by alkaline phosphata... | 17482463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17482463 | 10.1016/j.bmcl.2007.04.044 | Rattus norvegicus | 4 |
| 17482463 | 10.1016/j.bmcl.2007.04.044 | Ishikawa | 3 |
| 17482463 | 10.1016/j.bmcl.2007.04.044 | Estrogen receptor | 1 |
| 17482463 | 10.1016/j.bmcl.2007.04.044 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine