Compound Detail
CHEMBL3134124
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Basic Information
| ChEMBL ID | CHEMBL3134124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIBCEMFGHTTXHL-AMSCCUFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
262.4
MW (Da)
2.41
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 7.7 | 7.7 | 19.9 | 1 |
| Estrogen receptor CHEMBL206 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | EC50 | = | 19.95 | nM | 7.7 | Agonist activity at ER-beta (unknown origin) transfected in HEK293T cells after ... | - |
| Estrogen receptor | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity at ER-alpha (unknown origin) transfected in HEK293T cells after... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00194F | Estrogen receptor beta | 2 |
| - | 10.1039/C3MD00194F | Estrogen receptor | 2 |
| - | 10.1039/C3MD00194F | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine