Compound Detail
CHEMBL30996
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Basic Information
| ChEMBL ID | CHEMBL30996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVXFTHNOWJYYDE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
6.48
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | Ki | 8.06 | 8.06 | 8.7 | 1 |
| Estrogen receptor beta CHEMBL242 | Ki | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | Ki | = | 8.69 | nM | 8.06 | In vitro displacement of 0.5 nM [3H]17-beta-estradiol from human Estrogen recept... | 12672240 |
| Estrogen receptor beta | Ki | = | 190.0 | nM | 6.72 | In vitro displacement of 0.5 nM [3H]17-beta-estradiol from human Estrogen recept... | 12672240 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12672240 | 10.1021/jm020536q | Estrogen receptor | 2 |
| 12672240 | 10.1021/jm020536q | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine