Compound Detail
CHEMBL4171348
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4171348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXJTZYNMBBIPSZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
222.3
MW (Da)
2.97
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 4.49 | 4.49 | 32500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 32500.0 | nM | 4.49 | Displacement of Fluor.ES2 Green from human ERalpha by TR-FRET competitive bindin... | 29348811 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29348811 | 10.1021/acsmedchemlett.7b00431 | Estrogen receptor | 2 |
| 29348811 | 10.1021/acsmedchemlett.7b00431 | No relevant target | 1 |
| 29348811 | 10.1021/acsmedchemlett.7b00431 | Staphylococcus aureus | 1 |
| 29348811 | 10.1021/acsmedchemlett.7b00431 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine