Compound Detail
CHEMBL427180
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Basic Information
| ChEMBL ID | CHEMBL427180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWSSGPRRAGPVKD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
3.93
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 6.76 | 6.76 | 174.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 27.0 | nM | 7.57 | Inhibition of [3H]17-beta-estradiol binding to human estrogen receptor beta expr... | 15943471 |
| Estrogen receptor | IC50 | = | 174.0 | nM | 6.76 | Inhibition of [3H]17-beta-estradiol binding to human estrogen receptor alpha exp... | 15943471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15943471 | 10.1021/jm058173s | Estrogen receptor | 2 |
| 15943471 | 10.1021/jm058173s | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine