Compound Detail
CHEMBL1231453
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Basic Information
| ChEMBL ID | CHEMBL1231453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDDLEVPIDBLVHC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
268.4
MW (Da)
4.35
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 520.0 | nM | 6.28 | Antagonist activity at human Gal4-ERalpha assessed as inhibition of 17beta-estra... | 23768907 |
| Estrogen receptor beta | IC50 | = | 560.0 | nM | 6.25 | Antagonist activity at human Gal4-ERbeta assessed as inhibition of 17beta-estrad... | 23768907 |
| Unchecked | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of rabbit skeletal muscle sarco/endoplasmic reticulum calcium ATPase ... | 23643898 |
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 |
| 23643898 | 10.1016/j.bmc.2013.04.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine