Compound Detail
CHEMBL335465
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Basic Information
| ChEMBL ID | CHEMBL335465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSIHFOOFJWBVHK-XSFVSMFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
4.83
ALogP
2
HBA
1
HBD
32.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | Ki | 9.82 | 9.82 | 0.1 | 1 |
| Estrogen receptor beta CHEMBL242 | Ki | 9.57 | 9.57 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | Ki | = | 0.15 | nM | 9.82 | Relative binding affinity for human estrogen receptor alpha compared to [3H]estr... | 12954056 |
| Estrogen receptor beta | Ki | = | 0.27 | nM | 9.57 | Relative binding affinity for human estrogen receptor beta compared to [3H]-estr... | 12954056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12954056 | 10.1021/jm0308390 | Estrogen receptor | 4 |
| 12954056 | 10.1021/jm0308390 | Estrogen receptor beta | 4 |
| 24708493 | 10.1021/jm500268j | Estrogen receptor | 1 |
| 24708493 | 10.1021/jm500268j | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine