Compound Detail
CHEMBL371236
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Basic Information
| ChEMBL ID | CHEMBL371236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFNJKWBUAUKQIJ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
4.75
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.41
Ki 1 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | Ki | 8.55 | 8.55 | 2.8 | 1 |
| Estrogen receptor CHEMBL206 | EC50 | 8.41 | 8.41 | 3.9 | 1 |
| Estrogen receptor beta CHEMBL242 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | Ki | = | 2.8 | nM | 8.55 | Antagonistic activity against estrogen receptor beta in presence of 0.1 nM estra... | 16162002 |
| Estrogen receptor | EC50 | = | 3.9 | nM | 8.41 | Transcriptional activation of estrogen receptor alpha in U2OS cell using estroge... | 16162002 |
| Estrogen receptor beta | EC50 | = | 10.0 | nM | 8.0 | Transcriptional activation of estrogen receptor beta in U2OS cell using estrogen... | 16162002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16162002 | 10.1021/jm050226i | Estrogen receptor beta | 4 |
| 16162002 | 10.1021/jm050226i | Estrogen receptor | 3 |
Data from ChEMBL 36 via Core Engine