Compound Detail
CHEMBL2111532
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Basic Information
| ChEMBL ID | CHEMBL2111532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWZNCTCQAGRUGQ-SVBPBHIXSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
5.93
ALogP
6
HBA
2
HBD
62.2
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 8.52 | 8.27 | 3.0 | 2 |
| Estrogen receptor beta CHEMBL242 | IC50 | 7.28 | 7.06 | 52.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 3.0 | nM | 8.52 | Binding affinity towards human recombinant Estrogen receptor alpha was determine... | 15084115 |
| Estrogen receptor | IC50 | = | 9.6 | nM | 8.02 | In vitro binding affinity for Estrogen receptor alpha in HEK 293 cells | 15084115 |
| Estrogen receptor beta | IC50 | = | 52.0 | nM | 7.28 | In vitro binding affinity for Estrogen receptor beta in HEK 293 cells | 15084115 |
| Estrogen receptor beta | IC50 | = | 143.0 | nM | 6.84 | Binding affinity towards human recombinant Estrogen receptor beta was determined | 15084115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084115 | 10.1021/jm034243o | Estrogen receptor | 4 |
| 15084115 | 10.1021/jm034243o | Estrogen receptor beta | 2 |
Data from ChEMBL 36 via Core Engine