Compound Detail
CHEMBL2403351
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Basic Information
| ChEMBL ID | CHEMBL2403351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAVFLUSOBWUDAS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.6
MW (Da)
6.89
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 2900.0 | nM | 5.54 | Antagonist activity at human Gal4-ERalpha assessed as inhibition of 17beta-estra... | 23768907 |
| Estrogen receptor beta | IC50 | = | 4500.0 | nM | 5.35 | Antagonist activity at human Gal4-ERbeta assessed as inhibition of 17beta-estrad... | 23768907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23768907 | 10.1016/j.bmcl.2013.05.067 | Estrogen receptor beta | 2 |
| 23768907 | 10.1016/j.bmcl.2013.05.067 | Estrogen receptor | 2 |
Data from ChEMBL 36 via Core Engine