Compound Detail
CHEMBL82159
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Basic Information
| ChEMBL ID | CHEMBL82159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGGKBFLJEJWIPS-OCEACIFDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
5.31
ALogP
5
HBA
1
HBD
75.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | Kd | 9.25 | 9.25 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | Kd | = | 0.56 | nM | 9.25 | Compound was tested for binding affinity against nuclear ER in MCF-7 cell extrac... | 3783610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3783610 | 10.1021/jm00162a014 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine