Compound Detail
CHEMBL46903
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Basic Information
| ChEMBL ID | CHEMBL46903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SACIXOLGIWUXTG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
5.68
ALogP
4
HBA
2
HBD
48.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 7.6 | 7.38 | 25.0 | 2 |
| Estrogen receptor beta CHEMBL242 | IC50 | 6.62 | 6.62 | 242.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 25.0 | nM | 7.6 | In vitro inhibition of [3H]17-beta-estradiol binding to human estrogen receptor ... | 11356100 |
| Estrogen receptor | IC50 | = | 69.0 | nM | 7.16 | In vitro antagonist effect on estrogen receptor alpha transcriptional activation... | 11356100 |
| Estrogen receptor beta | IC50 | = | 242.0 | nM | 6.62 | In vitro inhibitory concentration against [3H]17-beta-estradiol binding to human... | 11356100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2066987 | 10.1021/jm00111a033 | Estrogen receptor | 12 |
| 11356100 | 10.1021/jm010086m | Estrogen receptor | 2 |
| 11356100 | 10.1021/jm010086m | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine