Compound Detail
CHEMBL199599
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Basic Information
| ChEMBL ID | CHEMBL199599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUXNQMXBOILMFU-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
3.74
ALogP
4
HBA
1
HBD
43.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.55
EC50 1 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 7.55 | 7.55 | 28.1 | 1 |
| Estrogen receptor beta CHEMBL3021 | EC50 | 7.39 | 7.39 | 40.8 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.53 | 5.53 | 2940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 28.1 | nM | 7.55 | Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in ... | 16219463 |
| Estrogen receptor beta | EC50 | = | 40.8 | nM | 7.39 | Effect on ERbeta in rat ovary granulosa cell line transfected with ER responsive... | 16219463 |
| Estrogen receptor | IC50 | = | 2940.0 | nM | 5.53 | Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in... | 16219463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16219463 | 10.1016/j.bmcl.2005.08.010 | Estrogen receptor | 4 |
| 16219463 | 10.1016/j.bmcl.2005.08.010 | Estrogen receptor beta | 3 |
Data from ChEMBL 36 via Core Engine