Compound Detail
CHEMBL240157
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Basic Information
| ChEMBL ID | CHEMBL240157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGPNHJVXUUCNCC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
2.20
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 4.49 | 4.49 | 32100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 520.0 | nM | 6.28 | Displacement of [3H]17beta-estradiol from recombinant human ERbeta | 17574424 |
| Estrogen receptor | IC50 | = | 32100.0 | nM | 4.49 | Displacement of [3H]17beta-estradiol from recombinant human ERalpha | 17574424 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17574424 | 10.1016/j.bmc.2007.05.071 | Mus musculus | 2 |
| 17574424 | 10.1016/j.bmc.2007.05.071 | Estrogen receptor | 1 |
| 17574424 | 10.1016/j.bmc.2007.05.071 | Estrogen receptor beta | 1 |
| 17574424 | 10.1016/j.bmc.2007.05.071 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine