Compound Detail
CHEMBL2403362
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Basic Information
| ChEMBL ID | CHEMBL2403362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTZJRGZLBBRGOT-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
5.76
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.65
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.1
EC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 7.1 | 7.0667 | 79.0 | 3 |
| Estrogen receptor beta CHEMBL242 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Estrogen receptor CHEMBL206 | EC50 | 6.22 | 6.22 | 606.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 79.0 | nM | 7.1 | Antagonist activity at human Gal4-ERalpha assessed as inhibition of 17beta-estra... | 23768907 |
| Estrogen receptor | IC50 | = | 79.0 | nM | 7.1 | Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 ... | 30940565 |
| Estrogen receptor | IC50 | = | 100.0 | nM | 7.0 | Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET a... | 30940565 |
| Estrogen receptor beta | IC50 | = | 180.0 | nM | 6.75 | Antagonist activity at human Gal4-ERbeta assessed as inhibition of 17beta-estrad... | 23768907 |
| Estrogen receptor | EC50 | = | 606.0 | nM | 6.22 | Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unkn... | 30940565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30940565 | 10.1016/j.bmc.2019.03.042 | Estrogen receptor | 5 |
| 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