Compound Detail
CHEMBL192548
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 | CHEMBL192548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMQDJJVJCMQHOT-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
4.27
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 5.63 | 5.63 | 2320.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 2320.0 | nM | 5.63 | Binding affinity for human Estrogen receptor Alpha | 15887952 |
| Estrogen receptor | IC50 | = | 2320.0 | nM | 5.63 | Binding affinity for human Estrogen receptor Alpha | 15887952 |
| Estrogen receptor | IC50 | = | 2320.0 | nM | 5.63 | Binding Assay: The binding affinity and selectivity of candidate molecules yield... | - |
| Estrogen receptor | IC50 | = | 2320.0 | nM | 5.63 | Binding Assay: The binding affinity and selectivity of candidate molecules yield... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15887952 | 10.1021/jm0490538 | Estrogen receptor | 4 |
| 15887952 | 10.1021/jm0490538 | Estrogen receptor beta | 2 |
Data from ChEMBL 36 via Core Engine